(4β,9S)-Cinchonan-9-Ol

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Properties Simple | Detailed

Formula C19H22N2O
IUPAC Name (s)-4-quinolyl-[(1r,2r,4r,5r)-5-vinylquinuclidin-2-yl]methanol
Molecular Mass 294.391 g·mol−1
Heat of Formation 76.7 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 367.27 Å 3
Surface Area 313.21 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-4-quinolyl-[(2r,4r,5r)-5-vinyl-2-quinuclidinyl]methanol
  • (s)-4-quinolyl-[(2r,4r,5r)-5-vinylquinuclidin-2-yl]methanol
  • (s)-[(4r,5r,7r)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-yl-methanol
  • (s)-[(4r,5r,7r)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-quinolin-4-ylmethanol
  • acon0_001352
  • acon1_000336
  • bpbio1_000568
  • megxp0_001905
InChIKey KMPWYEUPVWOPIM-RAKLQZGLSA-N
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