9-{[(3-Iodo-2-Propen-1-Yl)Oxy]Methyl}-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C9H10IN5O
IUPAC Name 9-[[(z)-3-iodoallyloxy]methyl]purin-6-amine
Molecular Mass 331.113 g·mol−1
Heat of Formation 240.3 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 283.31 Å 3
Surface Area 266.59 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey MASBGTDCOLNPIY-OWOJBTEDSA-O
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