Geometry & MOs

Info

ID:	212556
PubChem CID:	81060965
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	321.070261
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	5.51
IP(EA), eV:	-9.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-5-methoxyanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations