Geometry & MOs

Info

ID:	373388
PubChem CID:	131314465
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	2.55
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-fluoro-2-hydroxy-4-methoxyphenyl)-3-methylbutanenitrile

Drug info:

PubChemData

Smile

CC(C)(CC1=CC(=C(C=C1O)F)OC)C#N

DOS

IR

Vibrations