5-(3-Ethyl-1,2,4-Oxadiazol-5-Yl)-1,4,5,6-Tetrahydropyrimidine

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Properties Simple | Detailed

Formula C8H12N4O
IUPAC Name 3-ethyl-5-[(5s)-1,4,5,6-tetrahydropyrimidin-5-yl]-1,2,4-oxadiazole
Molecular Mass 180.207 g·mol−1
Heat of Formation 126.0 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 216.51 Å 3
Surface Area 213.64 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
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InChIKey IPKFWLRXFSUTDZ-UHFFFAOYSA-N
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