(3Z)-1-Hydroxy-5-Isobutyl-3-(2-Methylpropylidene)-2,6(1H,3H)-Pyrazinedione

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Properties Simple | Detailed

Formula C12H18N2O3
IUPAC Name (5z)-1-hydroxy-3-isobutyl-5-(2-methylpropylidene)pyrazine-2,6-dione
Molecular Mass 238.283 g·mol−1
Heat of Formation -364.6 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 304.46 Å 3
Surface Area 274.35 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-1-hydroxy-5-isobutyl-3-(2-methylpropylidene)pyrazine-2,6(1h,3h)-dione
  • (5z)-1-hydroxy-3-(2-methylpropyl)-5-(2-methylpropylidene)pyrazine-2,6-dione
  • (5z)-1-hydroxy-3-isobutyl-5-(2-methylpropylidene)pyrazine-2,6-dione
  • (5z)-1-hydroxy-3-isobutyl-5-(2-methylpropylidene)pyrazine-2,6-quinone
  • 2,6-(1h,3h)-pyrazinedione, 1-hydroxy-5-(2-methylpropyl)-3-(2-methylpropylidene)-, (3z)-
  • 2,6-(1h,3h)-pyrazinedione, 1-hydroxy-5-(2-methylpropyl)-3-(2-methylpropylidene)-, (z)-
  • flutimide
CAS Number(s)
  • 162666-34-4
InChIKey SIXHCCPAJIVTOY-UITAMQMPSA-N
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