1-Pentofuranosyl-2(1H)-Pyrazinone 4-Oxide

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Formula C9H12N2O6
IUPAC Name hydron; 4-hydroxy-5-(hydroxymethyl)-2-(6-hydroxy-4-oxo-2,3-dihydropyrazin-4-ium-3-id-1-yl)tetrahydrofuran-2,4-diid-3-olate
Molecular Mass 244.201 g·mol−1
Heat of Formation -207.3 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 261.58 Å 3
Surface Area 235.72 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey RXZPAINEZWIFJD-ZLNHGNLKSA-N
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