Ethyl 8-Azido-5-Methyl-6-Oxo-4H-Imidazo[1,5-A][1,4]Benzodiazepin-2-Ium-3A-Ide-3-Carboxylate

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Formula C15H16N6O3
IUPAC Name ethyl 8-azido-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepin-2-ium-3a-ide-3-carboxylate
Molecular Mass 328.326 g·mol−1
Heat of Formation 80.7 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 366.21 Å 3
Surface Area 332.03 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey WMJYCLDKLKTXOM-UHFFFAOYSA-N
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