7-Chloro-1-Methyl-5-(4-Oxo-2,5-Cyclohexadien-1-Ylidene)-1,3,4,5-Tetrahydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C16H13ClN2O2
IUPAC Name 7-chloro-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one
Molecular Mass 300.740 g·mol−1
Heat of Formation -43.5 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 332.91 Å 3
Surface Area 294.05 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-1-methyl-
  • 4'-hydroxydiazepam
  • 7-chloro-1-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-2-one
  • 7-chloro-5-(4-keto-1-cyclohexa-2,5-dienylidene)-1-methyl-3,4-dihydro-1,4-benzodiazepin-2-one
  • ro 7-3351
CAS Number(s)
  • 17311-35-2
InChIKey DUOJMGDRGYQPBR-UHFFFAOYSA-N
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