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

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Properties Simple | Detailed

Formula C14H20N2O3
IUPAC Name 2-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-5-hydroxy-benzonitrile
Molecular Mass 264.320 g·mol−1
Heat of Formation -402.4 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 341.52 Å 3
Surface Area 291.95 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey YKEYQHVHOYKQGR-LBPRGKRZSA-N
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