(3E)-N,N-Dimethyl-3-(2-Methyldibenzo[B,E]Thiepin-11(6H)-Ylidene)-1-Propanamine

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Properties Simple | Detailed

Formula C20H23NS
IUPAC Name (3e)-n,n-dimethyl-3-(2-methyl-6h-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
Molecular Mass 309.468 g·mol−1
Heat of Formation 180.3 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 399.16 Å 3
Surface Area 342.25 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3e)-n,n-dimethyl-3-(2-methyl-6h-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
  • 1-propanamine, n,n-dimethyl-3-(2-methyldibenzo(b,e)thiepin-11(6h)-ylidene)-
  • dimethyl-[(3e)-3-(2-methyl-6h-benzo[c][1]benzothiepin-11-ylidene)propyl]amine
  • medosulepine
  • methiadene
  • methyldosulepin
CAS Number(s)
  • 13448-33-4
InChIKey XWRKGMIKFODBDS-GIJQJNRQSA-N
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