5-[(3S)-3-(5-Methoxy-2',6'-Dimethyl-3-Biphenylyl)-1-Butyn-1-Yl]-6-Methyl-2,4-Pyrimidinediamine

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Formula C24H26N4O
IUPAC Name 5-[(3s)-3-[3-(2,6-dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
Molecular Mass 386.489 g·mol−1
Heat of Formation 200.8 ± 16.7 kJ·mol−1
Dipole Moment 1.11 ± 1.08 D
Volume 496.06 Å 3
Surface Area 414.26 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 3.01 ± eV
Point Group Symmetry C1
InChIKey XZXVRKHUCSXVBM-CQSZACIVSA-N
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