3-Chloro-2-(1,1,2,2,2-Pentachloroethyl)-5-(Trichloromethyl)-1H-1,2,4-Triazol-2-Ium
Properties
Property | Value |
---|---|
Formula | C5Cl9N3 |
IUPAC Name | 5-chloro-1-(1,1,2,2,2-pentachloroethyl)-3-(trichloromethyl)-1,2,4-triazole |
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 |