Geometry & MOs

Info

ID:	212328
PubChem CID:	81060160
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	287.08254
ΔH_f, kcal/mol:	-91.9
Dipole, Da:	3.96
IP(EA), eV:	-9.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations