5-Chloro-6-[2,6-Difluoro-4-[3-(Methylamino)Propoxy]Phenyl]-N-[(1S)-2,2,2-Trifluoro-1-Methyl-Ethyl]-[1,2,4]Triazolo[1,5-A]Pyrimidin-8-Ium-7-Id-7-Amine
Properties
| Property | Value |
|---|---|
| Formula | C18H21ClF5N6O |
| IUPAC Name | 5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-n-[(1s)-2,2,2-trifluoro-1-methyl-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-7-id-7-amine |
| Molecular Mass | 467.844 g·mol−1 |
| Heat of Formation | -825.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 9.07 ± 1.08 D |
| Volume | 486.1 Å 3 |
| Surface Area | 413.25 Å 2 |
| HOMO Energy | -9.38 ± 0.55 eV |
| LUMO Energy | 1.90 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IWMWXOZLVOAEQA-VIFPVBQESA-O |
| QR Code | Generate QR Code |
| Links | |
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| Elements | C F H Cl O N |