Geometry & MOs

Info

ID:	266450
PubChem CID:	103566780
Reduced:	N2O2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	347.01571
ΔH_f, kcal/mol:	0.14
Dipole, Da:	5.96
IP(EA), eV:	-9.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-5-methoxyphenyl)methoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations