(2E)-3-[4-({6-[(4-Methoxyphenyl)Amino]-7H-Purin-2-Yl}Amino)-3,5-Dimethylphenyl]Acrylonitrile

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Formula C23H21N7O
IUPAC Name (e)-3-[4-[[6-(4-methoxyanilino)-7h-purin-2-yl]amino]-3,5-dimethyl-phenyl]prop-2-enenitrile
Molecular Mass 411.459 g·mol−1
Heat of Formation 499.6 ± 16.7 kJ·mol−1
Dipole Moment 12.60 ± 1.08 D
Volume 491.27 Å 3
Surface Area 439.94 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey IDEUQSZAIWGGSN-SNAWJCMRSA-N
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