4-(2-Hydroxy-3-{[1-(2-Methoxyphenoxy)-2-Propanyl]Amino}Propoxy)-1(2H)-Isoquinolinone

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Formula C22H26N2O5+
IUPAC Name 4-[(2s)-2-hydroxy-3-[[(1r)-2-(2-methoxyphenoxy)-1-methyl-ethyl]amino]propoxy]isoquinolin-1-one
Molecular Mass 398.452 g·mol−1
Heat of Formation -602.8 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 479.53 Å 3
Surface Area 347.3 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey BZAQSBHYQKDSGT-CVEARBPZSA-N
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