Geometry & MOs

Info

ID:

85505

PubChem CID:

49876187

Reduced:

NO2Cl3H15C19 (1)

Stoich.:

AB2C3D15E19 (1)

Weight, g/mol:

399.022257

ΔHf, kcal/mol:

26.18

Dipole, Da:

2.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.638437

Charge, e:

 -1

Chem-info

IUPAC name:

3-[6-chloro-4-(2-chlorophenyl)quinolin-2-yl]aniline;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3Cl)Cl)C.[Cl-]

DOS

IR

Vibrations