Ethyl 8-Azido-5-Methyl-6-Oxo-5,6-Dihydro-4H-Imidazo[1,5-A][1,4]Benzodiazepine-3-Carboxylate

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Properties Simple | Detailed

Formula C15H14N6O3
IUPAC Name ethyl 8-azido-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Mass 326.310 g·mol−1
Heat of Formation 80.4 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 365.84 Å 3
Surface Area 331.88 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-azido-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • 8-azido-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • 8-azido-6-keto-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • ethyl 8-azido-6-dihydro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
  • pdsp1_001777
  • pdsp2_001760
  • ro 15-4513
CAS Number(s)
  • 91917-65-6
InChIKey CFSOJZTUTOQNIA-UHFFFAOYSA-N
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