[(4'-Cyano-2-{[4-(2-Pyridinyl)-1-Piperazinyl]Methyl}-4-Biphenylyl)Oxy]Acetic Acid

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Properties Simple | Detailed

Formula C25H24N4O3
IUPAC Name 2-[4-(4-cyanophenyl)-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenoxy]acetic acid
Molecular Mass 428.483 g·mol−1
Heat of Formation -28.7 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 518.86 Å 3
Surface Area 437.87 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey AKNGILSRJWORBU-UHFFFAOYSA-N
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