4-({4-[2-(4-Chlorophenyl)-2-Hydroxyethyl]-1-Piperazinyl}Methyl)-2,6-Bis(2-Methyl-2-Propanyl)Phenol

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Formula C27H39ClN2O2
IUPAC Name 2,6-ditert-butyl-4-[[4-[(2r)-2-(4-chlorophenyl)-2-hydroxy-ethyl]piperazin-1-yl]methyl]phenol
Molecular Mass 459.064 g·mol−1
Heat of Formation -387.7 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 590.16 Å 3
Surface Area 479.61 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey ZGSFWANJADAZQC-DEOSSOPVSA-N
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Elements H C N O Cl