7H-Pyrrolo[2,3-D]Pyrimidine-2,4-Diol

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Properties Simple | Detailed

Formula C6H5N3O2
IUPAC Name 1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
Molecular Mass 151.123 g·mol−1
Heat of Formation -219.9 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 158.99 Å 3
Surface Area 163.11 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,7-dihydropyrrolo[3,2-e]pyrimidine-2,4-dione
  • 1,7-dihydropyrrolo[3,2-e]pyrimidine-2,4-quinone
InChIKey HASUWNAFLUMMFI-UHFFFAOYSA-N
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