9-(2-Fluorobenzyl)-N-Methyl-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C13H12FN5
IUPAC Name 9-[(2-fluorophenyl)methyl]-n-methyl-purine-1,3,7-triium-6-amine
Molecular Mass 257.266 g·mol−1
Heat of Formation 174.7 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 294.34 Å 3
Surface Area 270.89 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey MZABAGHILOTTOD-UHFFFAOYSA-O
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Elements H C N F