3-Phenyl-4-(3-Pyridinyl)-4,5-Dihydropyrrolo[3,4-C]Pyrazol-6(1H)-One
Properties
| Property | Value |
|---|---|
| Formula | C16H12N4O |
| IUPAC Name | (4r)-3-phenyl-4-(3-pyridyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-2-ium-6a-ylium-6-one |
| Molecular Mass | 276.293 g·mol−1 |
| Heat of Formation | 350.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.39 ± 1.08 D |
| Volume | 324.9 Å 3 |
| Surface Area | 273.79 Å 2 |
| HOMO Energy | -9.75 ± 0.55 eV |
| LUMO Energy | -0.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OHFQLOFZGKOEBH-ZDUSSCGKSA-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 |