Amino{4-[({[2-(2,2-Diphenylethyl)-7-Methyl-1,3-Dioxo-2,3,5,8-Tetrahydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazin-5-Yl]Carbonyl}Amino)Methyl]Cyclohexyl}Methaniminium
Properties
| Property | Value |
|---|---|
| Formula | C30H37N6O3+ |
| IUPAC Name | [amino-[4-[[[(8s)-2-(2,2-diphenylethyl)-6-methyl-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-8-carbonyl]amino]methyl]cyclohexyl]methylene]ammonium |
| Molecular Mass | 529.653 g·mol−1 |
| Heat of Formation | -219.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.29 ± 1.08 D |
| Volume | 653.46 Å 3 |
| Surface Area | 496.88 Å 2 |
| HOMO Energy | -9.41 ± 0.55 eV |
| LUMO Energy | 2.93 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HKVVMQTWGPLJEV-CVJWPJSTSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |