Tert-Butyl 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 C17H18ClN3O3
IUPAC Name tert-butyl 8-chloro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Mass 347.796 g·mol−1
Heat of Formation -360.4 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 392.15 Å 3
Surface Area 342.8 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 8-chloro-5-methyl-6-oxo-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
  • 8-chloro-6-keto-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
  • pdsp1_001767
  • pdsp2_001750
  • zg 63
  • zg-63
CAS Number(s)
  • 146137-59-9
InChIKey NLEQOPYBIKKOPK-UHFFFAOYSA-N
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Elements H C N O Cl