5-Nitro-1H-Pyrimidine-2,4-Dione

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Properties Simple | Detailed

Formula C4H3N3O4
IUPAC Name 5-nitropyrimidin-1-ium-5-ylium-2,4-dione
Molecular Mass 157.084 g·mol−1
Heat of Formation -304.4 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 150.61 Å 3
Surface Area 157.5 Å 2
HOMO Energy -10.96 ± 0.55 eV
LUMO Energy 1.19 ± eV
Point Group Symmetry Cs
InChIKey MJZPFTQXBCVGHZ-UHFFFAOYSA-P
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