1-Allyl-5-Ethyl-5-(2-Pentanyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C14H22N2O3
IUPAC Name (5r)-1-allyl-5-ethyl-5-[(1r)-1-methylbutyl]hexahydropyrimidine-2,4,6-trione
Molecular Mass 266.336 g·mol−1
Heat of Formation -625.1 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 345.15 Å 3
Surface Area 281.73 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
InChIKey BBAWGSLXDGRZSD-QMTHXVAHSA-N
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