2-(2-{3-[3,5-Bis(Trifluoromethyl)Phenyl]-1H-1,2,4-Triazol-1-Yl}Ethyl)-1,3,4-Oxadiazole
Properties
Property | Value |
---|---|
Formula | C14H9F6N5O |
IUPAC Name | 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethyl]-1,3,4-oxadiazole |
Molecular Mass | 377.245 g·mol−1 |
Heat of Formation | -953.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.34 ± 1.08 D |
Volume | 375.38 Å 3 |
Surface Area | 348.0 Å 2 |
HOMO Energy | -10.14 ± 0.55 eV |
LUMO Energy | 1.57 ± eV |
Point Group Symmetry | C1 |
InChIKey | CSKHNYIZBSBQMW-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C N O F |