3-(Trifluoromethyl)[1,2,4]Triazolo[3,4-A]Isoquinoline
Properties
Property | Value |
---|---|
Formula | C11H6F3N3 |
IUPAC Name | 3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]isoquinoline |
Molecular Mass | 237.181 g·mol−1 |
Heat of Formation | -254.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.20 ± 1.08 D |
Volume | 237.96 Å 3 |
Surface Area | 227.18 Å 2 |
HOMO Energy | -9.79 ± 0.55 eV |
LUMO Energy | -1.55 ± eV |
Point Group Symmetry | Cs |
Synonyms |
|
CAS Number(s) |
|
InChIKey | VCCLTMGHQTUHGC-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N F |