2-[(2,5-Dichlorobenzyl)Sulfanyl]-5-Ethyl[1,2,4]Triazolo[1,5-A]Pyrimidin-7-Ol

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Formula C14H12Cl2N4OS
IUPAC Name 2-[(2,5-dichlorophenyl)methylsulfanyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
Molecular Mass 355.242 g·mol−1
Heat of Formation 2276.2 ± 16.7 kJ·mol−1
Dipole Moment 14.31 ± 1.08 D
Volume 352.11 Å 3
Surface Area 326.78 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -4.01 ± eV
Point Group Symmetry C1
InChIKey HVAYQTZQQDSNCH-UHFFFAOYSA-N
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