(2Z)-2-(1H-1,2,4-Triazol-1-Yl)-3-[3-(3,4,5-Trimethoxyphenyl)-1H-Indazol-5-Yl]Acrylonitrile
Properties
Property | Value |
---|---|
Formula | C21H18N6O3 |
IUPAC Name | (z)-2-(1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1h-indazol-5-yl]prop-2-enenitrile |
Molecular Mass | 402.406 g·mol−1 |
Heat of Formation | 349.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.75 ± 1.08 D |
Volume | 468.26 Å 3 |
Surface Area | 389.09 Å 2 |
HOMO Energy | -8.64 ± 0.55 eV |
LUMO Energy | -1.69 ± eV |
Point Group Symmetry | C1 |
InChIKey | KVQZHZNPPJMLLH-UUASQNMZSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |