Geometry & MOs

Info

ID:	85900
PubChem CID:	49879994
Reduced:	ClN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	329.105681
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	7.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.215255
Charge, e:	-1

Chem-info

IUPAC name:

8-methoxy-N-(2-methoxyphenyl)-2-methylquinolin-4-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC(=CC=C3)O.[Cl-]

DOS

IR

Vibrations