(4-Chlorophenyl)[2,6-Dichloro-4-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)Phenyl]Acetonitrile

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Formula C17H11Cl3N4O2++
IUPAC Name (4-chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl]acetonitrile
Molecular Mass 409.654 g·mol−1
Heat of Formation 34.8 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 416.07 Å 3
Surface Area 356.4 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 1.37 ± eV
Point Group Symmetry C1
InChIKey ZSZFUDFOPOMEET-GFCCVEGCSA-P
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Elements H C N O Cl