Geometry & MOs

Info

ID:	8451
PubChem CID:	77750
Reduced:	NO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	-28.24
Dipole, Da:	6.3
IP(EA), eV:	-9.25(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxybenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations