(2E)-2-Methyl-4-[(2-~3~H)-7H-Purin-6-Ylamino]-2-Buten-1-Ol

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Properties Simple | Detailed

Formula C10H13N5O
IUPAC Name (e)-2-methyl-4-(9h-purine-1,3,7-triium-6-ylamino)but-2-en-1-ol
Molecular Mass 221.236 g·mol−1
Heat of Formation 1650.9 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 252.64 Å 3
Surface Area 255.09 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
InChIKey UZKQTCBAMSWPJD-UQCOIBPSSA-O
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