2-{2-[(2S,4R,5R)-5-Vinyl-1-Azabicyclo[2.2.2]Oct-2-Yl]-1H-Indol-3-Yl}Ethanol

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Properties Simple | Detailed

Formula C19H24N2O
IUPAC Name 2-[2-[(1r,2s,4r,5r)-5-vinylquinuclidin-2-yl]indol-1-ium-2-ylium-3-yl]ethanol
Molecular Mass 296.407 g·mol−1
Heat of Formation 5.2 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 377.41 Å 3
Surface Area 319.91 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(2s,4r,5r)-5-vinyl-2-quinuclidinyl]-1h-indol-3-yl]ethanol
  • 2-[2-[(2s,4r,5r)-5-vinylquinuclidin-2-yl]-1h-indol-3-yl]ethanol
  • 2-[2-[(4r,5r,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-1h-indol-3-yl]ethanol
InChIKey YAUKSCGKZYUZRH-IYOUNJFTSA-N
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