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

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Properties Simple | Detailed

Formula C21H19Cl2N3O2
IUPAC Name (3z)-7-chloro-5-(2-chlorophenyl)-1-methyl-3-(morpholin-4-ylmethylidene)-1,4-benzodiazepin-2-one
Molecular Mass 416.300 g·mol−1
Heat of Formation -42.4 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 462.74 Å 3
Surface Area 380.89 Å 2
HOMO Energy -7.99 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-7-chloro-5-(2-chlorophenyl)-1-methyl-3-(morpholinomethylene)-1,4-benzodiazepin-2-one
  • 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-3-(4-morpholinylmethylene)-2h-1,4-benzodiazepin-2-one
  • 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-3-(morpholino)methylene-2h-1,4-benzodiazepin-2-one
CAS Number(s)
  • 51823-78-0
InChIKey BTGITORGBVFIHX-AQTBWJFISA-N
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Elements H C N O Cl