Geometry & MOs

Info

ID:	212238
PubChem CID:	81059901
Reduced:	O2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	334.98249
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	6.03
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-2-chloroanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN(CC(=O)OCC)C1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations