Ethyl 8-Fluoro-6-(3-Nitrophenyl)-4H-Imidazo[1,5-A][1,4]Benzodiazepin-2-Ium-3A-Ide-3-Carboxylate

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Formula C20H15FN4O4
IUPAC Name ethyl 8-fluoro-6-(3-nitrophenyl)-4h-imidazo[1,5-a][1,4]benzodiazepin-2-ium-3a-ide-3-carboxylate
Molecular Mass 394.356 g·mol−1
Heat of Formation -110.6 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 428.02 Å 3
Surface Area 381.08 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
InChIKey DMHAGLGHYVLPTH-UHFFFAOYSA-N
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