(2,4-Dimethyl-1-Oxido-Piperidine-2,3,4,5,6-Pentaid-3-Yl)-[4-Methyl-4-[(1R,3S,4S)-3-Methyl-4-[(1S)-1-[4-(Trifluoromethyl)Phenyl]Ethyl]Piperazin-1-Yl]-1-Piperidyl]Methanone

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Properties Simple | Detailed

Formula C28H43F3N4O2+
IUPAC Name (2,4-dimethyl-1-oxido-piperidine-2,3,4,5,6-pentaid-3-yl)-[4-methyl-4-[(1r,3s,4s)-3-methyl-4-[(1s)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone
Molecular Mass 524.662 g·mol−1
Heat of Formation -771.4 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 627.8 Å 3
Surface Area 485.11 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
InChIKey HSGPMNRRWFLULU-DKVYELORSA-N
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