5-{2-[4-(Cyanomethyl)Phenyl]Ethyl}-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C15H13N3O4 |
IUPAC Name | 5-[2-[4-(cyanomethyl)phenyl]ethyl]-2,4-dioxo-1h-pyrimidine-6-carboxylic acid |
Molecular Mass | 299.281 g·mol−1 |
Heat of Formation | -503.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.67 ± 1.08 D |
Volume | 343.09 Å 3 |
Surface Area | 310.47 Å 2 |
HOMO Energy | -9.68 ± 0.55 eV |
LUMO Energy | 1.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | HLSGPFKGIFERQZ-UHFFFAOYSA-P |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |