Geometry & MOs

Info

ID:	211807
PubChem CID:	81054267
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	5.34
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(2-hydroxyethyl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CCC1COCCN1C2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations