4'-[3-({4-[(Cyclopropylamino)Methyl]Phenyl}Amino)-1H-Pyrazol-5-Yl]-2,4-Biphenyldiol

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Properties Simple | Detailed

Formula C25H24N4O2
IUPAC Name 4-[4-[3-[4-[(cyclopropylamino)methyl]anilino]-1h-pyrazol-5-yl]phenyl]benzene-1,3-diol
Molecular Mass 412.484 g·mol−1
Heat of Formation 221.7 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 497.79 Å 3
Surface Area 449.26 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey GRGYFHNWICGOLR-UHFFFAOYSA-N
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