1-(5-Fluoro-2-{(2R)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Phenyl)-1-Butanone

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Properties Simple | Detailed

Formula C17H26FNO3
IUPAC Name 1-[2-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-fluoro-phenyl]butan-1-one
Molecular Mass 311.392 g·mol−1
Heat of Formation -757.6 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 407.67 Å 3
Surface Area 347.82 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey NMBNQRJDEPOXCP-CYBMUJFWSA-N
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Elements H C N O F