4-{[(4-Carboxybutyl)(2-{2-[(4'-Phenoxy-4-Biphenylyl)Methoxy]Phenyl}Ethyl)Amino]Methyl}Benzoic Acid

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Formula C40H39NO6
IUPAC Name 4-[[4-carboxybutyl-[2-[2-[[4-(4-phenoxyphenyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
Molecular Mass 629.741 g·mol−1
Heat of Formation -676.4 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 777.8 Å 3
Surface Area 614.31 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
InChIKey KJMQIQGZRNYQSS-UHFFFAOYSA-N
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