Geometry & MOs

Info

ID:	212345
PubChem CID:	81060231
Reduced:	FON3H10C15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	285.129969
ΔH_f, kcal/mol:	22.85
Dipole, Da:	7.51
IP(EA), eV:	-10.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC(=C(C=C2)C#N)F

DOS

IR

Vibrations