Geometry & MOs

Info

ID:	272821
PubChem CID:	103759955
Reduced:	FNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	287.095771
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	2.63
IP(EA), eV:	-8.49(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethoxyphenoxy)methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCC2=C(C=CC(=C2)F)C#N

DOS

IR

Vibrations