(3R)-1-Azabicyclo[2.2.2]Oct-3-Ylacetat

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Properties Simple | Detailed

Formula C9H15NO2
IUPAC Name [(3r)-quinuclidin-3-yl] acetate
Molecular Mass 169.221 g·mol−1
Heat of Formation -403.0 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 212.48 Å 3
Surface Area 198.71 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r)-quinuclidin-3-yl] acetate
  • [(8r)-1-azabicyclo[2.2.2]octan-8-yl] acetate
  • [(8r)-1-azabicyclo[2.2.2]octan-8-yl] ethanoate
  • acetic acid [(3r)-3-quinuclidinyl] ester
  • acetic acid [(3r)-quinuclidin-3-yl] ester
  • pdsp1_000690
  • pdsp2_000680
InChIKey WRJPSSPFHGNBMG-VIFPVBQESA-N
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