N-Formyl-2-Oxo-1,3,4,6-Tetrahydropyrrolo[1,2-A]Pyrimidin-5-Ium-6-Ylium-8-Carboxamide

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Formula C9H9N3O3
IUPAC Name n-formyl-2-oxo-1,3,4,6-tetrahydropyrrolo[1,2-a]pyrimidin-5-ium-6-ylium-8-carboxamide
Molecular Mass 207.186 g·mol−1
Heat of Formation -413.0 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 225.13 Å 3
Surface Area 221.52 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • n-formyl-2-keto-3,4-dihydro-1h-pyrrolo[1,2-a]pyrimidine-8-carboxamide
  • n-methanoyl-2-oxo-3,4-dihydro-1h-pyrrolo[1,2-a]pyrimidine-8-carboxamide
InChIKey MLJIYPXACUUHIV-UHFFFAOYSA-N
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