Geometry & MOs

Info

ID:	212408
PubChem CID:	81060459
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	266.096775
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	6.46
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyano-4-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NCC(C)COC

DOS

IR

Vibrations