Geometry & MOs

Info

ID:	6804
PubChem CID:	70129
Reduced:	NOH7C8 (1)
Stoich.:	ABC7D8 (1)
Weight, g/mol:	133.052764
ΔH_f, kcal/mol:	13.41
Dipole, Da:	5.41
IP(EA), eV:	-9.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#N

DOS

IR

Vibrations