N-(3-Methoxyphenyl)-7H-Purin-6-Amine

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Properties Simple | Detailed

Formula C12H11N5O
IUPAC Name n-(3-methoxyphenyl)-9h-purine-1,3,7-triium-6-amine
Molecular Mass 241.249 g·mol−1
Heat of Formation 232.3 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 272.23 Å 3
Surface Area 260.88 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey AXPCHVXFDHPTBW-UHFFFAOYSA-O
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