7-Isobutyl-5-Methyl-3-(1-Methyl-1H-Imidazol-5-Yl)-2-(1-Naphthylmethyl)-2H-Pyrazolo[3,4-D]Pyrimidine-4,6(5H,7H)-Dione
Properties
Property | Value |
---|---|
Formula | C25H26N6O2 |
IUPAC Name | 7-isobutyl-5-methyl-3-(1-methyl-4h-imidazol-1-ium-4-ylium-5-yl)-2-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine-1,3,3a,7a-tetraide-4,6-dione |
Molecular Mass | 442.513 g·mol−1 |
Heat of Formation | 89.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.65 ± 1.08 D |
Volume | 528.56 Å 3 |
Surface Area | 421.09 Å 2 |
HOMO Energy | -8.91 ± 0.55 eV |
LUMO Energy | 2.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | QJBUEINIMXZUED-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 |