5-Phenyl-3-(6-Quinolinylmethyl)-3,5,6,7-Tetrahydro-4H-[1,2,3]Triazolo[4,5-C]Pyridin-4-One
Properties
Property | Value |
---|---|
Formula | C21H17N5O |
IUPAC Name | 5-phenyl-3-(quinolin-6-ylmethyl)-6,7-dihydrotriazolo[4,5-c]pyridin-4-one |
Molecular Mass | 355.393 g·mol−1 |
Heat of Formation | 427.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.82 ± 1.08 D |
Volume | 410.68 Å 3 |
Surface Area | 362.2 Å 2 |
HOMO Energy | -9.08 ± 0.55 eV |
LUMO Energy | 1.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZSFSLLGRLMODAE-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |