2-(1-Azabicyclo[2.2.2]Oct-3-Yloxy)-1-Cyclopentyl-1-Phenylethanol

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Properties Simple | Detailed

Formula C20H29NO2
IUPAC Name (1s)-1-cyclopentyl-1-phenyl-2-[(3r)-quinuclidin-3-yl]oxy-ethanol
Molecular Mass 315.450 g·mol−1
Heat of Formation -348.4 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 408.11 Å 3
Surface Area 326.81 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
InChIKey GTKRIWMDLNOSLI-VQTJNVASSA-N
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