Geometry & MOs

Info

ID:	85897
PubChem CID:	49879988
Reduced:	ClON2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	347.071794
ΔH_f, kcal/mol:	43.55
Dipole, Da:	3.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.965381
Charge, e:	-1

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-8-methoxy-2-methylquinolin-4-amine;chloride

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=C3C=CC=C(C3=NC(=C2)C)OC.[Cl-]

DOS

IR

Vibrations