Geometry & MOs

Info

ID:	212636
PubChem CID:	81061281
Reduced:	OSN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	305.075346
ΔH_f, kcal/mol:	13.16
Dipole, Da:	4.54
IP(EA), eV:	-8.62(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2=CN=C(C=C2)OC

DOS

IR

Vibrations