N~4~-{5-[2-(3,4-Dimethoxyphenyl)Ethyl]-1H-Pyrazol-3-Yl}-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)Methyl]-2,4-Pyrimidinediamine
Properties
Property | Value |
---|---|
Formula | C22H25N7O3 |
IUPAC Name | n4-[5-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-2-ium-1-id-3-yl]-n2-[(3-methylisoxazol-1-ium-2-id-5-yl)methyl]pyrimidine-2,4-diamine |
Molecular Mass | 435.479 g·mol−1 |
Heat of Formation | 182.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.04 ± 1.08 D |
Volume | 515.99 Å 3 |
Surface Area | 475.43 Å 2 |
HOMO Energy | -8.26 ± 0.55 eV |
LUMO Energy | 2.61 ± eV |
Point Group Symmetry | C1 |
Synonyms |
|
InChIKey | YLSKPWFLSHNDEO-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |