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

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Properties Simple | Detailed

Formula C7H14N5O2+
IUPAC Name 2-(2-amino-6-oxo-3h-purine-1,9-diium-5-id-7-yl)acetaldehyde
Molecular Mass 200.218 g·mol−1
Heat of Formation -17.6 ± 16.7 kJ·mol−1
Dipole Moment 2.04 ± 1.08 D
Volume 204.97 Å 3
Surface Area 201.7 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey YLUBPLIUEOTSPA-UHFFFAOYSA-O
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