Geometry & MOs

Info

ID:

85838

PubChem CID:

49879678

Reduced:

ClN2O2C9H10 (1)

Stoich.:

AB2C2D9E10 (1)

Weight, g/mol:

327.090031

ΔHf, kcal/mol:

-25.0

Dipole, Da:

4.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763622

Charge, e:

 -1

Chem-info

IUPAC name:

methyl 4-[(2-methylquinolin-4-yl)amino]benzoate;chloride

Drug info:

PubChemData

Smile

CN1C(=O)COC2=C1C=C(C=C2)N.[Cl-]

DOS

IR

Vibrations