Ethyl 8-Chloro-5,6-Dihydro-5-Methyl-6-Oxo-4H-Imidazo(1,5-A)(1,4)Benzodiazepine-3-Carboxylate

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Properties Simple | Detailed

Formula C15H14ClN3O3
IUPAC Name ethyl 8-chloro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Mass 319.743 g·mol−1
Heat of Formation -288.9 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 348.59 Å 3
Surface Area 315.77 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-chloro-5,6-dihydro-5-methyl-6-oxo-, ethyl ester
  • 8-chloro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • 8-chloro-6-keto-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester
  • ro 15-3505
  • ro-15-3505
CAS Number(s)
  • 78756-33-9
InChIKey QORLMYYHZLDYOR-UHFFFAOYSA-N
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