9-Chloro-7-(2-Chlorophenyl)-5H-Pyrimido(5,4-D)(2)Benzazepine

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Properties Simple | Detailed

Formula C18H11Cl2N3
IUPAC Name 9-chloro-7-(2-chlorophenyl)-5h-pyrimido[5,4-d][2]benzazepine
Molecular Mass 340.206 g·mol−1
Heat of Formation 374.6 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 362.21 Å 3
Surface Area 306.68 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-pyrimido(5,4-d)(2)benzazepine, 9-chloro-7-(2-chlorophenyl)-
  • 9-ccpb
  • 9-chloro-7-(2-chlorophenyl)-5h-pyrimido[5,4-d][2]benzazepine
  • ro 223245
CAS Number(s)
  • 76988-39-1
InChIKey CLYXKIKVKJZIOF-UHFFFAOYSA-N
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Elements H C N Cl