Geometry & MOs

Info

ID:	212597
PubChem CID:	81061151
Reduced:	SN3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	42.26
Dipole, Da:	3.86
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations