1-(3-Chlorophenethyl)-3-Cyclopentylpyrimidine-2,4,6-(1H,3H,5H)-Trione

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Properties Simple | Detailed

Formula C17H19ClN2O3
IUPAC Name 1-[2-(3-chlorophenyl)ethyl]-3-cyclopentyl-hexahydropyrimidine-2,4,6-trione
Molecular Mass 334.797 g·mol−1
Heat of Formation -551.2 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 385.44 Å 3
Surface Area 339.87 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
InChIKey AJKSBVCOTKODMF-UHFFFAOYSA-N
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Elements H C N O Cl