(4β,8Alpha,9R)-6'-Methoxycinchonan-9-Ol

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Properties Simple | Detailed

Formula C20H24N2O2
IUPAC Name (r)-(6-methoxy-4-quinolyl)-[(1r,2s,4r,5r)-5-vinylquinuclidin-2-yl]methanol
Molecular Mass 324.417 g·mol−1
Heat of Formation -82.4 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 399.97 Å 3
Surface Area 339.02 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (9r)-6'-methoxycinchonan-9-ol
  • (r)-(6-methoxy-4-quinolyl)-[(2s,4r,5r)-5-vinyl-2-quinuclidinyl]methanol
  • (r)-(6-methoxy-4-quinolyl)-[(2s,4r,5r)-5-vinylquinuclidin-2-yl]methanol
  • (r)-[(4r,5r,7s)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
  • quinine
InChIKey LOUPRKONTZGTKE-FOEVPDMQSA-N
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