Zometapine

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Properties Simple | Detailed

Formula C14H15ClN4
IUPAC Name 4-(3-chlorophenyl)-1,3-dimethyl-6,7-dihydro-2h-pyrazolo[3,4-e][1,4]diazepine
Molecular Mass 274.749 g·mol−1
Heat of Formation 343.0 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 316.64 Å 3
Surface Area 280.45 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(m-chlorophenyl)-1,6,7,8-tetrahydro-1,3-dimethylpyrazolo(3,4-e)(1,4)diazepine
  • ci 781
  • pyrazolo(3,4-e)(1,4)diazepine, 4-(3-chlorophenyl)-1,6,7,8-tetrahydro-1,3-dimethyl-
  • zopetamine
CAS Number(s)
  • 51022-73-2
InChIKey CJGOZEVWXQGMCS-UHFFFAOYSA-N
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Elements H C N Cl