1-Nitrosodihydro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C4H5N3O3
IUPAC Name 1-nitrosohexahydropyrimidine-2,4-dione
Molecular Mass 143.101 g·mol−1
Heat of Formation -311.2 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 148.92 Å 3
Surface Area 154.69 Å 2
HOMO Energy -10.76 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitroso-1,3-diazinane-2,4-dione
  • 1-nitroso-5,6-dihydrouracil
  • 1-nitrosodihydropyrimidine-2,4(1h,3h)-dione
  • 2,4(1h,3h)-pyrimidinedione, dihydro-1-nitroso-
  • 2,4(1h,3h)-pyrimidinedione, dihydro-1-nitroso- (9ci)
  • hydrouracil, 1-nitroso-
  • ndhu
  • no-dhu
  • uracil, 5,6-dihydro-1-nitroso-
CAS Number(s)
  • 16813-36-8
InChIKey NTUQAPWIPIIWLT-UHFFFAOYSA-N
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