3-Indoleacetonitrile

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Properties Simple | Detailed

Formula C10H8N2
IUPAC Name 2-indol-1-ium-3-ylacetonitrile
Molecular Mass 156.184 g·mol−1
Heat of Formation 278.5 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 195.52 Å 3
Surface Area 193.73 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (3-indolyl)acetonitrile
  • (indol-3-yl)acetonitrile
  • (indole-3-yl)acetonitrile
  • 1h-indol-3-ylacetonitrile
  • 1h-indole-3-acetonitrile
  • 2-(1h-indol-3-yl)acetonitrile
  • 2-(1h-indol-3-yl)ethanenitrile
  • 3-(cyanomethyl)indole
  • 3-indolacetonitrile
  • 3-indolylacetonitrile
  • acetonitrile, 3-indolyl-
  • indol-3-ylacetonitrile
  • indole-3-acetonitrile
  • indole-3-acetonitrile (8ci)
  • indoleacetonitrile
  • indolylacetonitril
  • indolylacetonitrile
  • usaf cb-29
CAS Number(s)
  • 771-51-7
InChIKey DMCPFOBLJMLSNX-UHFFFAOYSA-N
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Elements H C N