Geometry & MOs

Info

ID:	212481
PubChem CID:	81060677
Reduced:	ClON2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	27.02
Dipole, Da:	3.73
IP(EA), eV:	-9.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC(=CC=C2)Cl

DOS

IR

Vibrations