Formula |
C26H31NO3 |
IUPAC Name |
[(1s,4r,6r)-2-methyl-3-oxo-2-azabicyclo[2.2.2]octan-6-yl] (3r)-3-methyl-5-(4-phenylphenyl)pentanoate |
Molecular Mass |
405.529 g·mol−1 |
Heat of Formation |
-505.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.85 ± 1.08 D |
Volume |
508.77 Å 3 |
Surface Area |
389.11 Å 2 |
HOMO Energy |
-8.73 ± 0.55 eV |
LUMO Energy |
0.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BGUQHXXOAZWWLI-UFONIEFXSA-N |
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Elements |
H
C
O
N
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