N-[2-(3,4-Dihydroxyphenyl)-2-Hydroxyethyl]-7-Oxo-7-{[4-(Trifluoromethyl)Phenyl]Amino}-2-Heptanaminium

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Formula C22H27F3N2O4
IUPAC Name (6r)-6-[[(2r)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]-n-[4-(trifluoromethyl)phenyl]heptanamide
Molecular Mass 440.456 g·mol−1
Heat of Formation -1351.7 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 518.25 Å 3
Surface Area 407.9 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey ZRBLJEGNAJFUPE-VLIAUNLRSA-N
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