N-[(3-Nitrophenyl)Methyl]-6-[1-(4-Piperidyl)Pyrazol-1-Ium-2-Id-4-Yl]-2-(Trifluoromethyl)Pyrido[2,3-D]Pyrimidine-1,3,8-Triium-4A-Id-4-Amine
Properties
| Property | Value |
|---|---|
| Formula | C23H21F3N8O2 |
| IUPAC Name | n-[(3-nitrophenyl)methyl]-6-[1-(4-piperidyl)pyrazol-1-ium-2-id-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidine-1,3,8-triium-4a-id-4-amine |
| Molecular Mass | 498.460 g·mol−1 |
| Heat of Formation | -90.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.70 ± 1.08 D |
| Volume | 538.81 Å 3 |
| Surface Area | 478.84 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | 1.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LCIRYVZQVZCOCQ-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |