N8-(2-Chlorophenyl)-N2-(2,6-Difluorophenyl)-9-Ethyl-Purine-1,3,7-Triium-2,8-Diamine

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Formula C19H15ClF2N6
IUPAC Name n8-(2-chlorophenyl)-n2-(2,6-difluorophenyl)-9-ethyl-purine-1,3,7-triium-2,8-diamine
Molecular Mass 400.812 g·mol−1
Heat of Formation 111.3 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 430.9 Å 3
Surface Area 384.23 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey VTROFJCZHPJNOF-UHFFFAOYSA-O
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Elements Cl C F H N