Geometry & MOs

Info

ID:

85907

PubChem CID:

49880026

Reduced:

BrClO2N3C14H16 (1)

Stoich.:

ABC2D3E14F16 (1)

Weight, g/mol:

315.090031

ΔHf, kcal/mol:

-16.09

Dipole, Da:

3.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

4-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;chloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=NC=N2)NCCCCCC(=O)O.[Cl-]

DOS

IR

Vibrations