6-Amino-3-Benzyl-1H-Purin-3-Ium

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Properties Simple | Detailed

Formula C12H11N5
IUPAC Name 3-benzylpurine-1,7,9-triium-6-amine
Molecular Mass 225.249 g·mol−1
Heat of Formation 416.2 ± 16.7 kJ·mol−1
Dipole Moment 4.61 ± 1.08 D
Volume 264.09 Å 3
Surface Area 244.46 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
InChIKey SNSNPCORSVPUTC-UHFFFAOYSA-O
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Elements H C N