2-[(1R)-3-Amino-1-Phenylpropoxy]-4-Chlorobenzonitrile

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Properties Simple | Detailed

Formula C16H15ClN2O
IUPAC Name 2-[(1r)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile
Molecular Mass 286.756 g·mol−1
Heat of Formation 105.0 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 342.11 Å 3
Surface Area 303.77 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey GPCXUXJZOSOVLY-OAHLLOKOSA-N
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