Geometry & MOs

Info

ID:	212542
PubChem CID:	81060896
Reduced:	SN3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	301.09819
ΔH_f, kcal/mol:	9.89
Dipole, Da:	6.37
IP(EA), eV:	-8.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-methoxy-5-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(C)C(C)C

DOS

IR

Vibrations