6-{4-[3-(4-Methyl-1-Piperazinyl)Propoxy]-3-(Trifluoromethyl)Phenyl}-2-Pyridinecarbonitrile

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Properties Simple | Detailed

Formula C21H23F3N4O
IUPAC Name 6-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
Molecular Mass 404.429 g·mol−1
Heat of Formation -441.4 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 472.98 Å 3
Surface Area 427.66 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
InChIKey CWICZCHZPOSFKO-UHFFFAOYSA-N
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