(1S)-1-(1H-Imidazol-5-Ylmethyl)-2,3,4,9-Tetrahydro-1H-β-Carboline

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Formula C15H16N4
IUPAC Name (1s)-1-(1h-imidazol-3-ium-5-id-5-ylmethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ium
Molecular Mass 252.314 g·mol−1
Heat of Formation 315.1 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 306.31 Å 3
Surface Area 277.64 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.91 ± eV
Point Group Symmetry C1
Synonyms
  • (1s)-1-(3h-imidazol-4-ylmethyl)-2,3,4,9-tetrahydro-1h-$b-carboline
  • (1s)-1-(3h-imidazol-4-ylmethyl)-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole
  • 1-(1h-imidazol-4-ylmethyl)-2,3,4,9-tetrahydro-1h-beta-carboline
  • 1h-pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-1-(1h-imidazol-4-ylmethyl)-
  • haploscleridamine
InChIKey SLFMYESZZPZJHF-AWEZNQCLSA-N
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