Geometry & MOs

Info

ID:

88669

PubChem CID:

49956036

Reduced:

OCl2N2C19H21 (1)

Stoich.:

AB2C2D19E21 (1)

Weight, g/mol:

338.058396

ΔHf, kcal/mol:

21.52

Dipole, Da:

4.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

2-(1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl.[Cl-]

DOS

IR

Vibrations