8-Nitroguanine

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Properties Simple | Detailed

Formula C5H4N6O3
IUPAC Name 2-amino-8-nitro-3,7-dihydropurin-6-one
Molecular Mass 196.124 g·mol−1
Heat of Formation 137.5 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 191.92 Å 3
Surface Area 194.2 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-8-nitro-3,7-dihydropurin-6-one
InChIKey IYHJRKNFFYAOGE-UHFFFAOYSA-N
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