(3S)-1-Azabicyclo[2.2.2]Oct-3-Yl Hydroxy(Diphenyl)Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23NO3
IUPAC Name [(3s)-quinuclidin-3-yl] 2-hydroxy-2,2-diphenyl-acetate
Molecular Mass 337.412 g·mol−1
Heat of Formation -347.7 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 408.77 Å 3
Surface Area 325.56 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-hydroxy-2,2-di(phenyl)acetic acid [(3s)-3-quinuclidinyl] ester
  • 2-hydroxy-2,2-di(phenyl)acetic acid [(3s)-quinuclidin-3-yl] ester
  • [(3s)-quinuclidin-3-yl] 2-hydroxy-2,2-di(phenyl)acetate
  • [(8s)-1-azabicyclo[2.2.2]octan-8-yl] 2-hydroxy-2,2-di(phenyl)acetate
  • [(8s)-1-azabicyclo[2.2.2]octan-8-yl] 2-hydroxy-2,2-di(phenyl)ethanoate
InChIKey HGMITUYOCPPQLE-LJQANCHMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N