Geometry & MOs

Info

ID:	212596
PubChem CID:	81061150
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	299.145619
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	3.82
IP(EA), eV:	-9.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)CO

DOS

IR

Vibrations