N-(7-Benzyl-6-Oxo-3H-Purine-1,9-Diium-5-Id-2-Yl)Acetamide

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Properties Simple | Detailed

Formula C14H20N5O2+
IUPAC Name n-(7-benzyl-6-oxo-3h-purine-1,9-diium-5-id-2-yl)acetamide
Molecular Mass 290.341 g·mol−1
Heat of Formation 32.0 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 322.42 Å 3
Surface Area 296.81 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey SUWHNLILVPYHNN-UHFFFAOYSA-O
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