3-(4-Methoxy-2-Methyl-Phenyl)-2,5-Dimethyl-N-[(1S)-1-(3-Methyl-1-Oxa-4-Azonia-2-Azanidacyclopenta-3,4-Dien-5-Yl)Propyl]Pyrazolo[1,5-A]Pyrimidin-7-Amine
Properties
| Property | Value |
|---|---|
| Formula | C22H28N6O2++ |
| IUPAC Name | 3-(4-methoxy-2-methyl-phenyl)-2,5-dimethyl-n-[(1s)-1-(3-methyl-1-oxa-4-azonia-2-azanidacyclopenta-3,4-dien-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine |
| Molecular Mass | 408.497 g·mol−1 |
| Heat of Formation | 183.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.76 ± 1.08 D |
| Volume | 498.6 Å 3 |
| Surface Area | 429.67 Å 2 |
| HOMO Energy | -8.16 ± 0.55 eV |
| LUMO Energy | 2.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ITYHTVAKAUUIKL-SFHVURJKSA-O |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |