Geometry & MOs

Info

ID:	212566
PubChem CID:	81061029
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	271.11209
ΔH_f, kcal/mol:	-60.81
Dipole, Da:	5.9
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C)NC1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations