(2E)-3-[4-({6-[(4-Methoxyphenyl)Amino]-7H-Purin-2-Yl}Amino)-3,5-Dimethylphenyl]Acrylonitrile
Properties
Property | Value |
---|---|
Formula | C23H21N7O |
IUPAC Name | (e)-3-[4-[[6-(4-methoxyanilino)-7h-purin-2-yl]amino]-3,5-dimethyl-phenyl]prop-2-enenitrile |
Molecular Mass | 411.459 g·mol−1 |
Heat of Formation | 499.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.60 ± 1.08 D |
Volume | 491.27 Å 3 |
Surface Area | 439.94 Å 2 |
HOMO Energy | -8.49 ± 0.55 eV |
LUMO Energy | -0.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | IDEUQSZAIWGGSN-SNAWJCMRSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |