4-(6-Amino-9H-Purin-9-Yl)-4-Methyl-2-Pentanone

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Properties Simple | Detailed

Formula C11H15N5O
IUPAC Name 4-(6-aminopurine-1,3,7-triium-9-yl)-4-methyl-pentan-2-one
Molecular Mass 233.270 g·mol−1
Heat of Formation -3.4 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 282.02 Å 3
Surface Area 244.96 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey SQCBZEQJJGPSQM-UHFFFAOYSA-O
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