7-(2-Chloroethyl)-1,3-Dimethyl-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C9H12ClN4O2
IUPAC Name 7-(2-chloroethyl)-1,3-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 243.670 g·mol−1
Heat of Formation -242.0 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 264.14 Å 3
Surface Area 244.01 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey YYGMLNHDWKOFJH-UHFFFAOYSA-P
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Elements H C N O Cl