7-[(1S,3S,5S)-3-Amino-5-Methyl-1-Piperidyl]-1-Cyclopropyl-8-Methoxy-4-Oxo-5,6-Dihydro-2H-Quinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H34N3O4+
IUPAC Name 7-[(1s,3s,5s)-3-amino-5-methyl-1-piperidyl]-1-cyclopropyl-8-methoxy-4-oxo-5,6-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 380.502 g·mol−1
Heat of Formation -446.6 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 443.1 Å 3
Surface Area 363.1 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
InChIKey CHFQRXPYUSJAFM-MEODREILSA-O
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