Geometry & MOs

Info

ID:	212422
PubChem CID:	81060489
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	285.129969
ΔH_f, kcal/mol:	18.48
Dipole, Da:	5.79
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethylanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(C)C2=CC=CC=C2OC

DOS

IR

Vibrations