4-(4-{[(3S)-3-Hydroxy-1-Azabicyclo[2.2.2]Oct-3-Yl]Ethynyl}Phenoxy)-N-(4-Pyridinylmethyl)Benzamide

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N