3-{4-[3-(Butylamino)-2-Hydroxypropoxy]Phenyl}-7-Methoxy-2-Methyl-1(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C24H30N2O4+
IUPAC Name 3-[4-[(2r)-3-(butylamino)-2-hydroxy-propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one
Molecular Mass 410.506 g·mol−1
Heat of Formation -546.6 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 508.96 Å 3
Surface Area 409.94 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
InChIKey DGYBJCOBOXXRPQ-LJQANCHMSA-N
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