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Showing structure for FDB012589 (Dimethylamine)
674 -OEChem-03112021293D 10 9 0 0 0 0 0 0 0999 V2000 0.0001 -0.5504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 0.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1423 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 0.9105 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 -0.3685 -0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2467 0.9060 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -0.3682 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2506 0.9106 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 0.9060 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 674 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 4 1 -0.9 2 0.27 3 0.27 4 0.36 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 0 > <PUBCHEM_PHARMACOPHORE_FEATURES> 2 1 1 cation 1 1 donor > <PUBCHEM_HEAVY_ATOM_COUNT> 3 > <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> 000002A200000001 > <PUBCHEM_MMFF94_ENERGY> 0.7417 > <PUBCHEM_FEATURE_SELFOVERLAP> 10.148 > <PUBCHEM_SHAPE_FINGERPRINT> 139733 1 18410856559639919493 21015797 1 18048037655416930340 > <PUBCHEM_SHAPE_MULTIPOLES> 56.76 1.63 0.72 0.59 0 0 0 0.25 0 0 0 0 0.02 0 > <PUBCHEM_SHAPE_SELFOVERLAP> 84.534 > <PUBCHEM_SHAPE_VOLUME> 43.2 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for FDB012589 (Dimethylamine)