N-Benzyl-N-Ethyl-2-(7-Methyl-8-Oxo-2-Phenyl-Purine-1,3-Diium-5-Id-9-Yl)Acetamide

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Properties Simple | Detailed

Formula C23H23N5O2
IUPAC Name n-benzyl-n-ethyl-2-(7-methyl-8-oxo-2-phenyl-purine-1,3-diium-5-id-9-yl)acetamide
Molecular Mass 401.461 g·mol−1
Heat of Formation 45.8 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 486.62 Å 3
Surface Area 377.49 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey NDBWPVFXMRSHHL-UHFFFAOYSA-O
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