Geometry & MOs

Info

ID:

85898

PubChem CID:

49879989

Reduced:

OCl2N2H17C18 (1)

Stoich.:

AB2C2D17E18 (1)

Weight, g/mol:

315.090031

ΔHf, kcal/mol:

36.11

Dipole, Da:

2.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.007950

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=C3C=CC=C(C3=NC(=C2)C)OC)Cl.[Cl-]

DOS

IR

Vibrations