2-(3-(3-Hydroxyphenyl)-2,3-Dimethylpiperidino)Acetophenon

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Formula C21H25NO2
IUPAC Name 2-[(1r,2r,3s)-3-(3-hydroxyphenyl)-2,3-dimethyl-1-piperidyl]-1-phenyl-ethanone
Molecular Mass 323.429 g·mol−1
Heat of Formation -204.4 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 410.68 Å 3
Surface Area 337.79 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey XMSWGYQEWPUOKA-IIBYNOLFSA-N
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