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

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Properties Simple | Detailed

Formula C26H27N5O2
IUPAC Name 2-[4-(4-cyanophenyl)-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenoxy]-n-methyl-acetamide
Molecular Mass 441.525 g·mol−1
Heat of Formation 143.1 ± 16.7 kJ·mol−1
Dipole Moment 5.44 ± 1.08 D
Volume 540.27 Å 3
Surface Area 461.42 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey MATAFJDAEJJYTE-UHFFFAOYSA-N
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