(3R)-3-{[2-Benzyl-6-(3-Methoxypropoxy)-3-Pyridinyl]Ethynyl}Quinuclidin-3-Ol

Molecule SVG Image

Properties Simple | Detailed

Formula C25H31N2O3
IUPAC Name (3r)-3-[2-[2-benzyl-6-(3-methoxypropoxy)pyridin-1-ium-3-id-3-yl]ethynyl]quinuclidin-3-ol
Molecular Mass 407.525 g·mol−1
Heat of Formation -145.9 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 509.92 Å 3
Surface Area 431.74 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[2-[2-(benzyl)-6-(3-methoxypropoxy)-3-pyridyl]ethynyl]quinuclidin-3-ol
  • (3r)-3-[2-[6-(3-methoxypropoxy)-2-(phenylmethyl)-3-pyridyl]ethynyl]-3-quinuclidinol
  • (3r)-3-[2-[6-(3-methoxypropoxy)-2-(phenylmethyl)-3-pyridyl]ethynyl]quinuclidin-3-ol
  • (8r)-8-[2-[6-(3-methoxypropoxy)-2-(phenylmethyl)pyridin-3-yl]ethynyl]-1-azabicyclo[2.2.2]octan-8-ol
InChIKey HVIKCINYHLGLMN-RUZDIDTESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N