1-Azabicyclo(2.2.2)Oct-3α-Yl Benzoat

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Properties Simple | Detailed

Formula C14H17NO2
IUPAC Name [(3r)-quinuclidin-3-yl] benzoate
Molecular Mass 231.290 g·mol−1
Heat of Formation -254.9 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 284.2 Å 3
Surface Area 256.54 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • [(3r)-quinuclidin-3-yl] benzoate
  • [(8r)-1-azabicyclo[2.2.2]octan-8-yl] benzoate
  • benzoic acid [(3r)-3-quinuclidinyl] ester
  • benzoic acid [(3r)-quinuclidin-3-yl] ester
InChIKey AHKAOMZZTQULDS-ZDUSSCGKSA-N
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