Geometry & MOs

Info

ID:	212570
PubChem CID:	81061044
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-14.0
Dipole, Da:	3.77
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxy-5-methylanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCCCO

DOS

IR

Vibrations