6-[(6R)-2-(4-Fluorophenyl)-6-(Hydroxymethyl)-6,7-Dihydro-5H-Pyrazolo[1,5-A]Pyrimidine-1,2,3-Triid-3-Yl]-2-(O-Tolyl)Pyridazin-1-Ium-3-One
Properties
| Property | Value |
|---|---|
| Formula | C24H25FN5O2 |
| IUPAC Name | 6-[(6r)-2-(4-fluorophenyl)-6-(hydroxymethyl)-6,7-dihydro-5h-pyrazolo[1,5-a]pyrimidine-1,2,3-triid-3-yl]-2-(o-tolyl)-4h-pyridazine-1,2-diium-4-id-3-one |
| Molecular Mass | 434.486 g·mol−1 |
| Heat of Formation | 95.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.20 ± 1.08 D |
| Volume | 494.52 Å 3 |
| Surface Area | 410.09 Å 2 |
| HOMO Energy | -8.18 ± 0.55 eV |
| LUMO Energy | -1.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JPRZOVZJGDQDNY-ZUTUBDCJSA-N |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |