N-(5-{[(2S)-2-Benzyl-4-Methyl-1-Piperazinyl]Carbonyl}-6,6-Dimethyl-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazol-3-Yl)-3-Phenoxybenzamide
Properties
| Property | Value |
|---|---|
| Formula | C33H36N6O3 |
| IUPAC Name | n-[5-[(2s,4s)-2-benzyl-4-methyl-piperazine-1-carbonyl]-6,6-dimethyl-4h-pyrrolo[3,4-c]pyrazol-2-ium-1-id-3-yl]-3-phenoxy-benzamide |
| Molecular Mass | 564.677 g·mol−1 |
| Heat of Formation | 24.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.52 ± 1.08 D |
| Volume | 677.28 Å 3 |
| Surface Area | 563.21 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | 2.03 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VGRHRLOVUZTBHT-VWLOTQADSA-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 |