2-(3,4-Dichlorophenyl)-1-(2-{[(3S)-3-Hydroxy-1-Pyrrolidinyl]Methyl}-4,4-Dimethyl-1-Piperidinyl)Ethanone

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Formula C20H28Cl2N2O2
IUPAC Name 2-(3,4-dichlorophenyl)-1-[(2s)-2-[[(1r,3r)-3-hydroxypyrrolidin-1-yl]methyl]-4,4-dimethyl-1-piperidyl]ethanone
Molecular Mass 399.355 g·mol−1
Heat of Formation -458.9 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 473.69 Å 3
Surface Area 388.9 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey DYKJMRFQHDXDHH-JKSUJKDBSA-N
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Elements H C N O Cl