5-Ethyl-5-[(2S)-4-Methyl-2-Pentanyl]-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Formula C12H20N2O3
IUPAC Name 5-[(1s)-1,3-dimethylbutyl]-5-ethyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 240.299 g·mol−1
Heat of Formation -705.9 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 299.94 Å 3
Surface Area 254.6 Å 2
HOMO Energy -10.88 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey KXHLANWWTKSOMW-QMMMGPOBSA-N
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