1-[4-(4-Amino-7-Cyclopentyl-Pyrrolo[2,3-D]Pyrimidine-1,3-Diium-4A-Id-5-Yl)Phenyl]-3-Benzyl-Urea
Properties
| Property | Value |
|---|---|
| Formula | C25H26N6O |
| IUPAC Name | 1-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-5-yl)phenyl]-3-benzyl-urea |
| Molecular Mass | 426.514 g·mol−1 |
| Heat of Formation | 178.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.47 ± 1.08 D |
| Volume | 511.05 Å 3 |
| Surface Area | 452.86 Å 2 |
| HOMO Energy | -8.26 ± 0.55 eV |
| LUMO Energy | -0.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZSJRIAMPFPIDHU-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |