4-(4-{[(3S)-3-Hydroxy-1-Azabicyclo[2.2.2]Oct-3-Yl]Ethynyl}Phenoxy)-N-(4-Pyridinylmethyl)Benzamide
Properties
Property | Value |
---|---|
Formula | C28H27N3O3 |
IUPAC Name | 4-[4-[2-[(3s)-3-hydroxyquinuclidin-3-yl]ethynyl]phenoxy]-n-(4-pyridylmethyl)benzamide |
Molecular Mass | 453.532 g·mol−1 |
Heat of Formation | 53.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.81 ± 1.08 D |
Volume | 546.7 Å 3 |
Surface Area | 479.2 Å 2 |
HOMO Energy | -8.94 ± 0.55 eV |
LUMO Energy | 2.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | FEOIBPWKGPFSTB-NDEPHWFRSA-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 |