N~1~-(4-Chlorophenyl)-6-Methyl-N~5~-[3-(1H-Purin-6-Yl)-2-Pyridinyl]-1,5-Isoquinolinediamine

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Formula C26H19ClN8
IUPAC Name n1-(4-chlorophenyl)-6-methyl-n5-(3-purin-7-ium-5-ylium-6-yl-2-pyridyl)isoquinoline-1,5-diamine
Molecular Mass 478.936 g·mol−1
Heat of Formation 686.3 ± 16.7 kJ·mol−1
Dipole Moment 9.70 ± 1.08 D
Volume 532.82 Å 3
Surface Area 407.86 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
InChIKey KKVYYGGCHJGEFJ-UHFFFAOYSA-N
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Elements H C N Cl