Geometry & MOs

Info

ID:	212244
PubChem CID:	81059922
Reduced:	FON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	319.090997
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	5.03
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-chlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=CC(=C2)OC)F

DOS

IR

Vibrations