3,5-Dioxo-4-[3-(1-Piperidyl)Propyl]-2-[3-(Trifluoromethyl)Phenyl]-1,2,4-Triazine-6-Carbonitrile

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Formula C19H20F3N5O2
IUPAC Name 3,5-dioxo-4-[3-(1-piperidyl)propyl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
Molecular Mass 407.390 g·mol−1
Heat of Formation -612.1 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 455.52 Å 3
Surface Area 407.43 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.22 ± eV
Point Group Symmetry C1
InChIKey WHTRYTLEIQUFCO-UHFFFAOYSA-O
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Elements H C N O F