1-Methyl-7-Nitro-5-Phenyl-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C16H13N3O3
IUPAC Name 1-methyl-7-nitro-5-phenyl-3h-1,4-benzodiazepin-2-one
Molecular Mass 295.293 g·mol−1
Heat of Formation 111.0 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 334.49 Å 3
Surface Area 296.05 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dihydro-1-methyl-7-nitro-5-phenyl-2h-1,4-benzodiazepin-2-one
  • 1-methyl-5-phenyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one
  • 1-methyl-7-nitro-5-phenyl-3h-1,4-benzodiazepin-2-one
  • 1-methylnitrazepam
  • 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-1-methyl-7-nitro-5-phenyl-
  • d01593
  • dea no. 2837
  • elimin
  • erimin
  • nimetazepam
  • nimetazepam (jan)
  • ro 5-3453
  • s 1530
CAS Number(s)
  • 2011-67-8
InChIKey GWUSZQUVEVMBPI-UHFFFAOYSA-N
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