2-Amino-6-(Methylamino)-5-Nitro-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C5H7N5O3+
IUPAC Name 2-amino-6-(methylamino)-5-nitro-pyrimidin-3-ium-5-ylium-4-one
Molecular Mass 185.141 g·mol−1
Heat of Formation -129.3 ± 16.7 kJ·mol−1
Dipole Moment 9.85 ± 1.08 D
Volume 190.79 Å 3
Surface Area 192.5 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 6-methylamino-5-nitroisocytosine
InChIKey NMCMUSAXKISTKW-UHFFFAOYSA-N
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