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

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Formula C17H24N2O3+
IUPAC Name 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-2-methyl-isoquinolin-1-one
Molecular Mass 304.384 g·mol−1
Heat of Formation -476.0 ± 16.7 kJ·mol−1
Dipole Moment 0.81 ± 1.08 D
Volume 383.59 Å 3
Surface Area 315.07 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey TWVUMMQUXMYOOH-LBPRGKRZSA-N
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