Piperidine, 1-Acetyl-4-(8-Chloro-5,6-Dihydro-11H-Benzo(5,6)Cyclohepta(1,2-B)Pyridin-11-Ylidene)-

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Properties Simple | Detailed

Formula C21H21ClN2O
IUPAC Name 1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)-1-piperidyl]ethanone
Molecular Mass 352.857 g·mol−1
Heat of Formation -27.3 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 417.8 Å 3
Surface Area 348.67 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1-acetyl-4-(8-chloro-5,6-dihydro-11h-benzo(5,6)cycloheptal(1,2-b)pyridin-11-ylidine)piperidine
  • piperidine, 1-acetyl-4-(8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridine-11-ylidene)-
  • respatadine
  • sch 37370
  • sch-37370
CAS Number(s)
  • 117796-52-8
InChIKey FLTBEMVEAFMWDD-UHFFFAOYSA-N
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Elements H C N O Cl