5-{2-[4-(Cyanomethyl)Phenyl]Ethyl}-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinecarboxylic Acid

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Formula C15H13N3O4++
IUPAC Name 5-[2-[4-(cyanomethyl)phenyl]ethyl]-2,6-dioxo-pyrimidine-4-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
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