4-[(1R)-2-{[1-(1,3-Benzodioxol-5-Yl)-2-Propanyl]Amino}-1-Hydroxyethyl]-1,2-Benzenediol

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Formula C18H21NO5
IUPAC Name 4-[(1r)-2-[[(1r)-2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]benzene-1,2-diol
Molecular Mass 331.363 g·mol−1
Heat of Formation -679.4 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 399.33 Å 3
Surface Area 313.73 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
InChIKey LUMAEVHDZXIGEP-BZNIZROVSA-N
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