(3S)-1-Azabicyclo[2.2.2]Oct-3-Yl 9H-Xanthene-9-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H21NO3
IUPAC Name [(3s)-quinuclidin-3-yl] 9h-xanthene-9-carboxylate
Molecular Mass 335.396 g·mol−1
Heat of Formation -306.9 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 399.69 Å 3
Surface Area 336.45 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 9h-xanthene-9-carboxylic acid [(3s)-3-quinuclidinyl] ester
  • 9h-xanthene-9-carboxylic acid [(3s)-quinuclidin-3-yl] ester
  • [(3s)-quinuclidin-3-yl] 9h-xanthene-9-carboxylate
  • [(8s)-1-azabicyclo[2.2.2]octan-8-yl] 9h-xanthene-9-carboxylate
InChIKey DAIWBMZPSVQRCH-LJQANCHMSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N