N-{4-[5-(2-Furyl)-3-Methyl-1H-Pyrazol-4-Yl]Butyl}-N-Methyl-7H-Purin-6-Amine

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Formula C18H21N7O
IUPAC Name n-[4-[5-(2-furyl)-3-methyl-pyrazol-1-ium-3-ylium-4-yl]butyl]-n-methyl-purin-7-ium-5-ylium-6-amine
Molecular Mass 351.406 g·mol−1
Heat of Formation 390.7 ± 16.7 kJ·mol−1
Dipole Moment 9.40 ± 1.08 D
Volume 425.2 Å 3
Surface Area 375.28 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey PBUASXAIYKZEKU-UHFFFAOYSA-N
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