(1R,2R)-N-(1-Cyanocyclopropyl)-2-[(8-Fluoro-1,3,4,5-Tetrahydro-2H-Pyrido[4,3-B]Indol-2-Yl)Carbonyl]Cyclohexanecarboxamide

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Formula C23H25FN4O2
IUPAC Name (1r,2r)-n-(1-cyanocyclopropyl)-2-(8-fluoro-3,4-dihydro-1h-pyrido[4,3-b]indol-5-ium-2-carbonyl)cyclohexanecarboxamide
Molecular Mass 408.469 g·mol−1
Heat of Formation -238.1 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 490.46 Å 3
Surface Area 404.4 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey HGJTURTZFKNELD-HZPDHXFCSA-N
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