2-Amino-6-(4-Methoxyphenyl)-4-Oxo-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Ide-5-Carbonitrile

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Formula C14H12N5O2
IUPAC Name 2-amino-6-(4-methoxyphenyl)-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-ide-5-carbonitrile
Molecular Mass 282.277 g·mol−1
Heat of Formation 69.9 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 316.15 Å 3
Surface Area 294.32 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry C1
InChIKey YYTIOLBYASDGLL-UHFFFAOYSA-P
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