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Showing structure for CHEM045088: (3-aminopropyl)(methoxy)dimethylsilane
2733753 -OEChem-10101916093D 26 25 0 0 0 0 0 0 0999 V2000 1.3411 -0.4101 -0.0308 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.6657 1.0442 -0.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9547 0.2280 -0.3497 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3631 -0.3919 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5298 -0.0990 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6137 -0.7103 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -1.8529 -1.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -0.0601 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 2.2520 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5262 -1.3633 1.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 0.3568 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 0.8621 -0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5726 -0.8660 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 0.0674 2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 -1.6784 1.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -0.7077 0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -1.9291 -1.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.7941 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -1.7196 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0471 -1.0203 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8341 0.7097 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4369 2.2431 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 2.4411 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 3.0752 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9792 -0.4772 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7828 1.1161 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 9 1 0 0 0 0 3 8 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 2733753 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 17 13 11 6 12 14 7 5 2 3 16 9 10 4 15 8 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 10 1 0.54 2 -0.58 25 0.36 26 0.36 3 -0.99 4 -0.08 6 -0.08 7 -0.08 8 0.27 9 0.28 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 4 > <PUBCHEM_PHARMACOPHORE_FEATURES> 2 1 3 cation 1 3 donor > <PUBCHEM_HEAVY_ATOM_COUNT> 9 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 0029B6B900000001 > <PUBCHEM_MMFF94_ENERGY> 1.2762 > <PUBCHEM_FEATURE_SELFOVERLAP> 10.148 > <PUBCHEM_SHAPE_FINGERPRINT> 10219947 1 18341325617990771042 12932741 1 17968678076242686867 12932764 1 17676783023661969235 13922767 16 18113889438572022337 14344429 50 17967817128335938186 14390081 3 17968097551457111401 170605 34 18263088875609594133 20606313 2 18408884027379710877 20653091 64 17968101893410643520 20711985 327 18337387124142419730 20711985 344 17616827530530085562 21524375 3 17832150789519238604 23211744 41 17757293826075941568 23235687 12 18410006654574286471 23552423 10 18130519522051618375 23552449 11 18260830392847817474 3248919 1 18272093790421788331 8030462 33 17274834531978315563 > <PUBCHEM_SHAPE_MULTIPOLES> 192.58 4.85 1.76 1.17 6.32 0.74 -0.11 0.15 -0.38 -1.61 0.57 -0.66 -0.33 -0.03 > <PUBCHEM_SHAPE_SELFOVERLAP> 326.925 > <PUBCHEM_SHAPE_VOLUME> 130.2 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM045088: (3-aminopropyl)(methoxy)dimethylsilane
