2-(7-Amino-4,5-Dioxo-1,4,5,6-Tetrahydropyrimido[4,5-C]Pyridazin-3-Yl)Propanoic Acid

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Formula C9H14N5O4+
IUPAC Name (2r)-2-(7-amino-4,5-dioxo-8h-pyrimido[4,5-c]pyridazine-1,6-diium-4a-id-3-yl)propanoic acid
Molecular Mass 256.239 g·mol−1
Heat of Formation -399.1 ± 16.7 kJ·mol−1
Dipole Moment 9.86 ± 1.08 D
Volume 262.68 Å 3
Surface Area 246.95 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey GMTZUGVMBRNPHI-UWTATZPHSA-N
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