Geometry & MOs

Info

ID:	266466
PubChem CID:	103567173
Reduced:	N2O2H14C15 (1)
Stoich.:	A2B2C14D15 (1)
Weight, g/mol:	317.00514
ΔH_f, kcal/mol:	0.19
Dipole, Da:	3.62
IP(EA), eV:	-9.37(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromophenyl)methoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)COC2=CC(=CC(=C2)OC)C#N

DOS

IR

Vibrations