Geometry & MOs

Info

ID:	212503
PubChem CID:	81060747
Reduced:	NC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	48.72
Dipole, Da:	5.06
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-carbamothioyl-2,6-dimethylpyridin-4-yl)amino]benzamide

Drug info:

PubChemData

Smile

CC1CC1NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations