3-(2-Amino-6-Oxo-3H-Purine-1,9-Diium-5-Id-7-Yl)Propanenitrile

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Properties Simple | Detailed

Formula C8H15N6O+
IUPAC Name 3-(2-amino-6-oxo-3h-purine-1,9-diium-5-id-7-yl)propanenitrile
Molecular Mass 211.244 g·mol−1
Heat of Formation 203.6 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 229.78 Å 3
Surface Area 221.88 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey WRNNXHCFFSUXBN-UHFFFAOYSA-O
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