4-Methyl-3-(2-Phenylethyl)-1,2,4-Oxadiazol-5(4H)-One

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Properties Simple | Detailed

Formula C11H12N2O2
IUPAC Name 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one
Molecular Mass 204.225 g·mol−1
Heat of Formation -71.7 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 248.97 Å 3
Surface Area 235.91 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-phenylethyl)-4-methylsydnone
  • pems
  • sydnone, 4-methyl-3-(2-phenylethyl)-
CAS Number(s)
  • 114886-35-0
InChIKey BUCXEFZXWKUCCY-UHFFFAOYSA-N
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