5-[3-(2,5-Dimethoxy-4-Biphenylyl)-1-Butyn-1-Yl]-6-Methyl-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C23H24N4O2
IUPAC Name 5-[(3s)-3-(2,5-dimethoxy-4-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
Molecular Mass 388.462 g·mol−1
Heat of Formation 130.1 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 477.82 Å 3
Surface Area 414.47 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
InChIKey TWSMBNBBXDQFQK-AWEZNQCLSA-N
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