Geometry & MOs

Info

ID:	212436
PubChem CID:	81060540
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	255.117176
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	4.25
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCOC3C2CCCC3

DOS

IR

Vibrations