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 |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|