(3S,5R)-5-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxo-1-Piperazinyl]-N-(2,6-Dimethyl-4-Heptanyl)-3-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C27H43ClN4O2
IUPAC Name (3s,5r)-5-[(1s)-4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-n-(1-isobutyl-3-methyl-butyl)piperidine-3-carboxamide
Molecular Mass 491.109 g·mol−1
Heat of Formation -521.0 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 630.94 Å 3
Surface Area 505.57 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey VVEBLTKFUFYNOR-RBBKRZOGSA-N
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Elements H C Cl O N