Geometry & MOs

Info

ID:

85896

PubChem CID:

49879962

Reduced:

ClNF3O3H16C19 (1)

Stoich.:

ABC3D3E16F19 (1)

Weight, g/mol:

327.126416

ΔHf, kcal/mol:

-185.17

Dipole, Da:

5.03

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3)C(F)(F)F)O.[Cl-]

DOS

IR

Vibrations