3-(1H-Imidazol-1-Ylmethyl)-2-Isopropyl-1H-Indole

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Properties Simple | Detailed

Formula C15H17N3
IUPAC Name 3-(4h-imidazol-3-ium-4-ylium-3-ylmethyl)-2-isopropyl-indol-1-ium-2-ylium
Molecular Mass 239.316 g·mol−1
Heat of Formation 229.2 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 307.19 Å 3
Surface Area 268.7 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole, 3-(1h-imidazol-1-ylmethyl)-2-(1-methylethyl)-
  • 3-(1-imidazolylmethyl)-2-isopropyl-1h-indole
  • 3-(imidazol-1-ylmethyl)-2-isopropyl-1h-indole
  • 3-(imidazol-1-ylmethyl)-2-propan-2-yl-1h-indole
  • 3-isopropyl-3-(1-imidazolylmethyl)indole
  • uk 34787
  • uk-34787
CAS Number(s)
  • 72818-36-1
InChIKey NZXGMVRYQLENHC-UHFFFAOYSA-N
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Elements H C N