5-{2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}-1,2,3,4-Tetrahydronaphthalene-2,3-Diyl Diacetate

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Properties Simple | Detailed

Formula C21H31NO6
IUPAC Name [(2r,3r)-3-acetoxy-5-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]tetralin-2-yl] acetate
Molecular Mass 393.474 g·mol−1
Heat of Formation -1189.2 ± 16.7 kJ·mol−1
Dipole Moment 2.24 ± 1.08 D
Volume 487.59 Å 3
Surface Area 370.85 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
InChIKey RMEPOLDBANNDKX-NSISKUIASA-N
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