(3E)-3-(1-Chloro-10,11-Dihydro-5H-Dibenzo[A,D][7]Annulen-5-Ylidene)-N,N-Dimethyl-1-Propanamine

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Properties Simple | Detailed

Formula C20H22ClN
IUPAC Name (3e)-3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-n,n-dimethyl-propan-1-amine
Molecular Mass 311.848 g·mol−1
Heat of Formation 144.9 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 390.67 Å 3
Surface Area 336.92 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 1-chloramitriptyline
  • 1-chloroamitriptyline
  • 3-(1-chloro-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-ylidene)-n,n-dimethylpropylamine hydrochloride
CAS Number(s)
  • 52845-72-4
InChIKey CMGZPJIHOZMOKL-LICLKQGHSA-N
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Elements H C N Cl