Geometry & MOs

Info

ID:	212211
PubChem CID:	81059830
Reduced:	FSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	260.076119
ΔH_f, kcal/mol:	-11.74
Dipole, Da:	4.85
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC(C)C2=CC=C(C=C2)F

DOS

IR

Vibrations