7,8-Dichloro-9-Methyl-9H-β-Carboline

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Properties Simple | Detailed

Formula C12H8Cl2N2
IUPAC Name 7,8-dichloro-9-methyl-pyrido[3,4-b]indol-9-ium
Molecular Mass 251.111 g·mol−1
Heat of Formation 449.9 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 232.71 Å 3
Surface Area 220.79 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 7,8-dichloro-9-methyl-$b-carboline
  • 7,8-dichloro-9-methyl-9h-pyrido(3,4-b)indole
  • 7,8-dichloro-9-methyl-pyrido[3,4-b]indole
  • 9h-pyrido(3,4-b)indole, 7,8-dichloro-9-methyl-
  • bauerine b
CAS Number(s)
  • 156312-10-6
InChIKey XGTYSLIGRKUXED-UHFFFAOYSA-N
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Elements H C N Cl