3-Chloro-2-(1,1,2,2,2-Pentachloroethyl)-5-(Trichloromethyl)-1H-1,2,4-Triazol-2-Ium

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Formula C5Cl9N3
IUPAC Name 3-chloro-2-(1,1,2,2,2-pentachloroethyl)-5-(trichloromethyl)-1h-1,2,4-triazol-2-ium
Molecular Mass 421.151 g·mol−1
Heat of Formation 2.7 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 344.12 Å 3
Surface Area 283.42 Å 2
HOMO Energy -11.09 ± 0.55 eV
LUMO Energy 1.10 ± eV
Point Group Symmetry Cs
InChIKey MGTYUUUMOIWGQT-UHFFFAOYSA-N
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Elements C Cl N