1,3-Dimethyl-9H-β-Carboline

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Properties Simple | Detailed

Formula C13H12N2
IUPAC Name 1,3-dimethylpyrido[3,4-b]indol-9-ium
Molecular Mass 196.248 g·mol−1
Heat of Formation 201.2 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 241.09 Å 3
Surface Area 231.79 Å 2
HOMO Energy -8.32 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dimethyl-9h-$b-carboline
  • 3-methylharman
  • 9h-pyrido(3,4-b)indole, 1,3-dimethyl-
  • oprea1_326311
  • oprea1_626031
  • stock1n-32395
CAS Number(s)
  • 22314-94-9
InChIKey TWAREIZVWJSHJJ-UHFFFAOYSA-N
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Elements H C N