6-{4-[4-(4-Chlorophenyl)-4-Piperidinyl]Phenyl}-1H-Purine

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Formula C22H20ClN5
IUPAC Name 6-[4-[4-(4-chlorophenyl)-4-piperidyl]phenyl]-9h-purine-1,3,7-triium
Molecular Mass 389.881 g·mol−1
Heat of Formation 465.0 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 448.89 Å 3
Surface Area 381.79 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry Cs
InChIKey HPWBHQIUIBFTQC-UHFFFAOYSA-O
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Elements H C N Cl