2-Amino-8-Isopropyl-4-Methyl-6-(1H-Pyrazol-4-Yl)-7(8H)-Pteridinone

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Formula C13H15N7O+
IUPAC Name 2-amino-8-isopropyl-4-methyl-6-(3h-pyrazol-1-ium-3-ylium-4-yl)pteridin-7-one
Molecular Mass 285.305 g·mol−1
Heat of Formation 176.9 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 325.23 Å 3
Surface Area 295.4 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry Cs
InChIKey YIFGKPFEGAUADP-UHFFFAOYSA-N
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