Geometry & MOs

Info

ID:

85899

PubChem CID:

49879993

Reduced:

ClN2O2H16C17 (1)

Stoich.:

AB2C2D16E17 (1)

Weight, g/mol:

315.090031

ΔHf, kcal/mol:

-18.68

Dipole, Da:

1.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.423830

Charge, e:

 -1

Chem-info

IUPAC name:

3-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol;chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations