4-{4-[4-(3-Aminopropoxy)Phenyl]-1H-Pyrazol-5-Yl}-6-Chloro-1,3-Benzenediol
Properties
| Property | Value |
|---|---|
| Formula | C18H18ClN3O3 |
| IUPAC Name | 4-[4-[4-(3-aminopropoxy)phenyl]pyrazol-2-ium-4-id-3-yl]-6-chloro-benzene-1,3-diol |
| Molecular Mass | 359.807 g·mol−1 |
| Heat of Formation | -227.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.39 ± 1.08 D |
| Volume | 406.84 Å 3 |
| Surface Area | 363.0 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | 2.31 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XDDGJOIYZAMLBW-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |