Geometry & MOs

Info

ID:	211812
PubChem CID:	81054273
Reduced:	SN2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	37.96
Dipole, Da:	3.63
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methoxyethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)NC2=C(C(=NC(=C2)C)C)C(=S)N)C

DOS

IR

Vibrations