2-Amino-5-(P-Tolyl)-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-4-One

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Formula C13H13N4O
IUPAC Name 2-amino-5-(p-tolyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 241.268 g·mol−1
Heat of Formation 66.1 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 276.5 Å 3
Surface Area 259.51 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
InChIKey FSDNOFFDPLKBIR-UHFFFAOYSA-P
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