4-(2-Amino-6-Oxo-3H-Purine-1,9-Diium-5-Id-7-Yl)Butanal

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Properties Simple | Detailed

Formula C9H12N5O2
IUPAC Name 4-(2-amino-6-oxo-3h-purine-1,9-diium-5-id-7-yl)butanal
Molecular Mass 222.224 g·mol−1
Heat of Formation -73.8 ± 16.7 kJ·mol−1
Dipole Moment 1.36 ± 1.08 D
Volume 252.95 Å 3
Surface Area 239.87 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey KDGSSTZRAPCGBK-UHFFFAOYSA-O
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