1-Methyl-5-Phenyl-5-Propyl-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C14H16N2O3
IUPAC Name (5s)-1-methyl-5-phenyl-5-propyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 260.288 g·mol−1
Heat of Formation -490.8 ± 16.7 kJ·mol−1
Dipole Moment 1.55 ± 1.08 D
Volume 308.22 Å 3
Surface Area 269.75 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey ZPEFWBKTKHZGQU-AWEZNQCLSA-N
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