Geometry & MOs

Info

ID:

133443

PubChem CID:

51527962

Reduced:

Cl2N3O3H18C26 (1)

Stoich.:

A2B3C3D18E26 (1)

Weight, g/mol:

201.102788

ΔHf, kcal/mol:

17.71

Dipole, Da:

21.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.988957

Charge, e:

 1

Chem-info

IUPAC name:

methyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methylidene]azanium

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=C2)/C=C/3\C(=O)N=C(N(C3=O)C4=CC=CC=C4Cl)[O-])CC5=CC=CC=C5Cl

DOS

IR

Vibrations