N~1~-(4-Chlorophenyl)-6-Methyl-N~5~-[3-(1H-Purin-6-Yl)-2-Pyridinyl]-1,5-Isoquinolinediamine
Properties
Property | Value |
---|---|
Formula | C26H19ClN8 |
IUPAC Name | n1-(4-chlorophenyl)-6-methyl-n5-[3-(7h-purin-6-yl)-2-pyridyl]isoquinoline-1,5-diamine |
Molecular Mass | 478.936 g·mol−1 |
Heat of Formation | 686.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.70 ± 1.08 D |
Volume | 532.82 Å 3 |
Surface Area | 407.86 Å 2 |
HOMO Energy | -8.35 ± 0.55 eV |
LUMO Energy | 0.87 ± eV |
Point Group Symmetry | C1 |
InChIKey | KKVYYGGCHJGEFJ-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N Cl |