1-[(3,4-Dichlorophenyl)Methyl]-3,7-Dimethyl-8-Morpholino-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C18H20Cl2N5O3
IUPAC Name 1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-morpholino-purin-9-ium-5-ide-2,6-dione
Molecular Mass 425.289 g·mol−1
Heat of Formation -303.9 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 454.64 Å 3
Surface Area 393.48 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey RAPBGPSDGQYCGS-UHFFFAOYSA-P
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