N-{4-[(1-Allyl-3-Butyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Methyl]Phenyl}Acetamide
Properties
Property | Value |
---|---|
Formula | C21H25N5O3 |
IUPAC Name | n-[4-[(1-allyl-3-butyl-2,6-dioxo-7h-purine-4,5,8,9-tetraid-8-yl)methyl]phenyl]acetamide |
Molecular Mass | 395.455 g·mol−1 |
Heat of Formation | -328.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.80 ± 1.08 D |
Volume | 484.22 Å 3 |
Surface Area | 426.23 Å 2 |
HOMO Energy | -8.92 ± 0.55 eV |
LUMO Energy | 2.59 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | XFOWZKUTPKXWIE-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 |