Geometry & MOs

Info

ID:	28581
PubChem CID:	828451
Reduced:	ON3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	323.08254
ΔH_f, kcal/mol:	54.47
Dipole, Da:	1.43
IP(EA), eV:	-8.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methoxyanilino)-8-methylquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=NC3=C(C=CC=C3C=C2C#N)C

DOS

IR

Vibrations