Geometry & MOs

Info

ID:	211780
PubChem CID:	81054079
Reduced:	OSN4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	5.34
IP(EA), eV:	-8.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NCC2CN(CCO2)C

DOS

IR

Vibrations