N-Benzyl-4-[4-(3-Chlorophenyl)-1H-Pyrazol-3-Yl]-1H-Pyrrole-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C21H17ClN4O |
| IUPAC Name | n-benzyl-3-[4-(3-chlorophenyl)pyrazol-1-ium-3-ylium-3-yl]-2h-pyrrol-1-ium-2-ylium-5-carboxamide |
| Molecular Mass | 376.839 g·mol−1 |
| Heat of Formation | 253.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.90 ± 1.08 D |
| Volume | 429.04 Å 3 |
| Surface Area | 347.01 Å 2 |
| HOMO Energy | -8.95 ± 0.55 eV |
| LUMO Energy | -0.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PDJZASCRQRBYQS-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 |