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Formula C17H18N4O
IUPAC Name 5-methyl-2-[(5-methylimidazol-1-ium-4-ylium-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-5-ium-4a-ylium-1-one
Molecular Mass 294.351 g·mol−1
Heat of Formation 120.7 ± 16.7 kJ·mol−1
Dipole Moment 10.06 ± 1.08 D
Volume 351.12 Å 3
Surface Area 311.98 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrido(4,3-b)indol-1-one, 2,3,4,5-tetrahydro-5-methyl-2-((5-methyl-1h-imidazol-4-yl)methyl)-
  • 2,3,4,5-tetrahydro-5-methyl-2-((5-methyl-1h-imidazol-4-yl)methyl)-1h-pyrido(4,3-b)indol-1-one
  • 5-methyl-2-[(5-methyl-1h-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
  • gr 68755
  • ls-172542
CAS Number(s)
  • 122852-42-0
InChIKey JSWZEAMFRNKZNL-UHFFFAOYSA-N
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