Geometry & MOs

Info

ID:	9847
PubChem CID:	93892
Reduced:	NOH11C14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	209.084064
ΔH_f, kcal/mol:	37.01
Dipole, Da:	5.77
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations