6-Amino-1,3-Dimethyl-1,3-Dihydro-2H-Purin-2-Onato(2-)

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Properties Simple | Detailed

Formula C7H9N5O
IUPAC Name 6-amino-1,3-dimethyl-purin-2-one
Molecular Mass 179.179 g·mol−1
Heat of Formation 90.7 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 201.31 Å 3
Surface Area 194.98 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-amino-1,3-dimethyl-2-purinone
  • 6-amino-1,3-dimethylpurin-2-one
InChIKey GACQXROAVNQMHN-UHFFFAOYSA-N
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