Formula |
C31H41NO3 |
IUPAC Name |
[3-[(1r,5s)-9-methoxy-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]phenyl] 3-cyclopentylpropanoate |
Molecular Mass |
475.662 g·mol−1 |
Heat of Formation |
-465.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.83 ± 1.08 D |
Volume |
605.16 Å 3 |
Surface Area |
507.37 Å 2 |
HOMO Energy |
-8.39 ± 0.55 eV |
LUMO Energy |
0.07 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FDQBRSGRJUCKAG-QSCPPOLBSA-N |
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Elements |
H
C
O
N
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