4-[4-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-3-Methyl-1H-Pyrazol-5-Yl]-6-Ethylbenzene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C20H20N2O4 |
| IUPAC Name | 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-pyrazol-2-ium-5-ylium-3-yl]-6-ethyl-benzene-1,3-diol |
| Molecular Mass | 352.384 g·mol−1 |
| Heat of Formation | -415.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.91 ± 1.08 D |
| Volume | 405.81 Å 3 |
| Surface Area | 351.56 Å 2 |
| HOMO Energy | -8.46 ± 0.55 eV |
| LUMO Energy | 2.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OWPMENVYXDJDOW-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |