7-Chloro-5-(4-Methoxyphenyl)-1-Methyl-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C17H15ClN2O2
IUPAC Name 7-chloro-5-(4-methoxyphenyl)-1-methyl-3h-1,4-benzodiazepin-2-one
Molecular Mass 314.766 g·mol−1
Heat of Formation -76.1 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 355.03 Å 3
Surface Area 316.69 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-methoxyphenyl)-1-methyl-
  • 7-chloro-5-(4-methoxyphenyl)-1-methyl-3h-1,4-benzodiazepin-2(1h)one
  • 7-chloro-5-(4-methoxyphenyl)-1-methyl-3h-1,4-benzodiazepin-2-one
  • ro 5-6669
  • ro-5-6669
CAS Number(s)
  • 72430-63-8
InChIKey KWAMGWDRGYTEOJ-UHFFFAOYSA-N
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Elements H C N O Cl