3-{[(1R,2S)-1-Hydroxy-1-Phenyl-2-Propanyl](Methyl)Amino}Propanenitrile

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Properties Simple | Detailed

Formula C13H18N2O
IUPAC Name 3-[[(1r,2r)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]propanenitrile
Molecular Mass 218.295 g·mol−1
Heat of Formation -9.2 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 290.89 Å 3
Surface Area 252.55 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
InChIKey ANQHQOKTEJIOOQ-YPMHNXCESA-N
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