7-[(4Ar,6R,7As)-1,2,3,4,4A,5,7,7A-Octahydropyrrolo[3,4-B]Pyridin-6-Yl]-8-Chloro-1-Cyclopropyl-6-Fluoro-4-Oxo-2,5-Dihydroquinoline-2,3,4A,5,6,7,8,8A-Octaide-3-Carboxylic Acid

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Formula C20H30ClFN3O3+
IUPAC Name 7-[(4ar,6r,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-2,5-dihydroquinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 414.922 g·mol−1
Heat of Formation -451.5 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 445.03 Å 3
Surface Area 374.14 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
InChIKey AKTYGOPULOLHCG-YDUWRMOQSA-O
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Elements C F H Cl O N