[3-[(2-Amino-4-Oxo-1H-Pyrrolo[2,3-D]Pyrimidine-3,7-Diium-5-Ide-5-Carbonyl)Amino]-1-Azaniumylidene-Propyl]Azanide

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Formula C10H14N7O2
IUPAC Name [3-[(2-amino-4-oxo-1h-pyrrolo[2,3-d]pyrimidine-3,7-diium-5-ide-5-carbonyl)amino]-1-azaniumylidene-propyl]azanide
Molecular Mass 264.264 g·mol−1
Heat of Formation -111.3 ± 16.7 kJ·mol−1
Dipole Moment 13.64 ± 1.08 D
Volume 290.21 Å 3
Surface Area 268.93 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey JFIKWECFJAOZBA-UHFFFAOYSA-P
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