Geometry & MOs

Info

ID:	266467
PubChem CID:	103567180
Reduced:	BrNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	257.085207
ΔH_f, kcal/mol:	1.47
Dipole, Da:	3.49
IP(EA), eV:	-9.39(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)methoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCC2=CC(=CC=C2)Br

DOS

IR

Vibrations