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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Links |
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Elements |
H
C
N
O
Cl
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