(3α,8α,9S)-6'-Methoxy-10,11-Dihydrocinchonan-9-Ol

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Properties Simple | Detailed

Formula C20H26N2O2
IUPAC Name (s)-[(1s,2s,4s,5s)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methanol
Molecular Mass 326.433 g·mol−1
Heat of Formation -216.7 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 407.0 Å 3
Surface Area 342.91 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-[(2s,4s,5s)-5-ethyl-2-quinuclidinyl]-(6-methoxy-4-quinolyl)methanol
  • (s)-[(2s,4s,5s)-5-ethylquinuclidin-2-yl]-(6-methoxy-4-quinolyl)methanol
  • (s)-[(4s,5s,7s)-5-ethyl-1-azabicyclo[2.2.2]octan-7-yl]-(6-methoxyquinolin-4-yl)methanol
InChIKey LJOQGZACKSYWCH-NIHZBZNOSA-N
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