3-[(3-Ethyl-5-Isopropyl-2,6-Dioxo-1,2,3,6-Tetrahydro-4-Pyrimidinyl)Carbonyl]-5-Methylbenzonitrile

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Properties Simple | Detailed

Formula C18H19N3O3
IUPAC Name 3-(3-ethyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-benzonitrile
Molecular Mass 325.362 g·mol−1
Heat of Formation -351.4 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 395.19 Å 3
Surface Area 335.72 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
InChIKey AYPIJAMXGVYYRQ-UHFFFAOYSA-N
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