3H-1,4-Benzodiazepin-2-Ol, 7-Bromo-5-Phenyl-

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Properties Simple | Detailed

Formula C15H11BrN2O
IUPAC Name 7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular Mass 315.165 g·mol−1
Heat of Formation 144.4 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 309.89 Å 3
Surface Area 278.54 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-phenyl-
  • 7-bpdbd
  • 7-bromo-2,3-dihydro-5-phenyl-1h-1,4-benzodiazepin-2-one
  • 7-bromo-5-phenyl-1,2-dihydro-2h-1,4-benzodiazepin-2-one
  • 7-bromo-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one
  • 7-bromo-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
  • bas 00926990
  • chemdivam_000745
  • oprea1_527217
  • oprea1_725240
CAS Number(s)
  • 2894-61-3
InChIKey ATCCWKYKHCKDGT-UHFFFAOYSA-N
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Elements H C O Br N