2-{2-[(2S,4S,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-[(1s,2s,4s,5r)-5-vinylquinuclidin-2-yl]indol-1-ium-2-ylium-3-yl]ethanol
Molecular Mass 296.407 g·mol−1
Heat of Formation 4.3 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 377.58 Å 3
Surface Area 319.81 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 482-28-0
InChIKey YAUKSCGKZYUZRH-DEYYWGMASA-N
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