Formula |
C24H21ClF3N3O |
IUPAC Name |
(2s)-2-(4-chlorophenyl)-2-(3-pyridyl)-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone |
Molecular Mass |
459.891 g·mol−1 |
Heat of Formation |
-520.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.33 ± 1.08 D |
Volume |
509.41 Å 3 |
Surface Area |
433.07 Å 2 |
HOMO Energy |
-8.83 ± 0.55 eV |
LUMO Energy |
2.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OJFZYAQGMWSUID-QFIPXVFZSA-N |
QR Code |
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Links |
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Elements |
C
Cl
H
F
O
N
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