N-Ethyl-4-{(Z)-Phenyl[(1R,5S)-8-(2-Phenylethyl)-8-Azabicyclo[3.2.1]Oct-3-Ylidene]Methyl}Benzamide

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Properties Simple | Detailed

Formula C31H34N2O
IUPAC Name n-ethyl-4-[phenyl-[(1r,5s)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
Molecular Mass 450.614 g·mol−1
Heat of Formation 82.4 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 583.15 Å 3
Surface Area 488.19 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
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InChIKey SMEALXDSTRDBRR-LNZIDBMMSA-N
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