1-(Dibenzo[B,F]Thiepin-10-Yl)-4-Methylpiperazine

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Properties Simple | Detailed

Formula C19H20N2S
IUPAC Name 1-benzo[b][1]benzothiepin-5-yl-4-methyl-piperazine
Molecular Mass 308.441 g·mol−1
Heat of Formation 314.6 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 372.51 Å 3
Surface Area 315.61 Å 2
HOMO Energy -7.88 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(6-benzo[b][1]benzothiepinyl)-4-methylpiperazine
  • 1-benzo[b][1]benzothiepin-6-yl-4-methyl-piperazine
  • 10-(4-methylpiperazino)dibenzo(b,f)thiepin
  • ae-641/11703115
  • oprea1_769948
  • piperazine, 1-dibenzo(b,f)thiepin-10-yl-4-methyl-
CAS Number(s)
  • 22012-13-1
InChIKey DZFJHCPPSOWCCB-UHFFFAOYSA-N
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