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

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Formula C13H9N5O
IUPAC Name 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-ide-5-carbonitrile
Molecular Mass 251.244 g·mol−1
Heat of Formation 240.7 ± 16.7 kJ·mol−1
Dipole Moment 7.91 ± 1.08 D
Volume 283.36 Å 3
Surface Area 265.23 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey DPOIBZRPMKCCPJ-UHFFFAOYSA-P
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