Geometry & MOs

Info

ID:	373389
PubChem CID:	131314476
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-97.06
Dipole, Da:	5.73
IP(EA), eV:	-8.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-3-hydroxy-4-methoxyphenyl)-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC(C)(CC#N)C1=CC(=C(C=C1O)OC)F

DOS

IR

Vibrations