[4-[7-[2-(4-Chlorophenoxy)Ethyl]-2-(Methylamino)-6-Oxo-1H-Purine-3,9-Diium-5-Id-8-Yl]Phenyl]Phosphonic Acid

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Formula C20H20ClN5O5P
IUPAC Name [4-[7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-1h-purine-3,9-diium-5-id-8-yl]phenyl]phosphonic acid
Molecular Mass 476.830 g·mol−1
Heat of Formation -745.0 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 506.6 Å 3
Surface Area 390.12 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey NEJDDMVEHGEEDK-UHFFFAOYSA-O
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Elements C Cl H O N P