O~6~-Benzylguanine

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Properties Simple | Detailed

Formula C12H11N5O
IUPAC Name 6-benzyloxy-9h-purine-1,3,7-triium-2-amine
Molecular Mass 241.249 g·mol−1
Heat of Formation 222.3 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 273.41 Å 3
Surface Area 265.68 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry Cs
InChIKey KRWMERLEINMZFT-UHFFFAOYSA-O
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