2-{(2S)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}Benzonitrile

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Formula C14H20N2O2
IUPAC Name 2-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile
Molecular Mass 248.321 g·mol−1
Heat of Formation -232.9 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 326.2 Å 3
Surface Area 277.64 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey VCVQSRCYSKKPBA-LBPRGKRZSA-N
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