Geometry & MOs

Info

ID:	288742
PubChem CID:	104324761
Reduced:	NO2F3H8C12 (1)
Stoich.:	AB2C3D8E12 (1)
Weight, g/mol:	301.030584
ΔH_f, kcal/mol:	-159.18
Dipole, Da:	5.54
IP(EA), eV:	-9.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-fluorophenyl)methoxy]-1-benzofuran-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C#N)OCCC(F)(F)F

DOS

IR

Vibrations