Geometry & MOs

Info

ID:	375396
PubChem CID:	131500186
Reduced:	NOF3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-189.33
Dipole, Da:	5.45
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-4-methoxy-5-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)C(F)(F)F)OC)N

DOS

IR

Vibrations