Barbital

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Formula C8H12N2O3
IUPAC Name 5,5-diethylhexahydropyrimidine-2,4,6-trione
Molecular Mass 184.192 g·mol−1
Heat of Formation -631.1 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 215.67 Å 3
Surface Area 198.19 Å 2
HOMO Energy -10.97 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-diethyl-
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-diethyl- (9ci)
  • 5,5-diethyl-1,3-diazinane-2,4,6-trione
  • 5,5-diethyl-2,4,6(1h,3h,5h)-pyrimidinetrione
  • 5,5-diethylbarbituric acid
  • 5,5-diethylpyrimidine-2,4,6(1h,3h,5h)-trione
  • barbital (jp15)
  • barbital (van)
  • barbitale [dcit]
  • barbitonum
  • barbituric acid, 5,5-diethyl-
  • d01740
  • dea no. 2145
  • deba
  • diemal
  • diemalum
  • diethyl-barbituric acid
  • diethylbarbitone
  • diethylbarbituric acid
  • diethylmalonylurea
  • dormonal
  • ethylbarbital
  • hypnogene
  • malonal
  • oprea1_012884
  • oprea1_497227
  • sedeval
  • uronal
  • veroletten
  • verolettin
  • veronal
  • vesperal
CAS Number(s)
  • 57-44-3
InChIKey FTOAOBMCPZCFFF-UHFFFAOYSA-N
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