Geometry & MOs

Info

ID:

176162

PubChem CID:

76002669

Reduced:

Cl2N2O5C24H28 (1)

Stoich.:

A2B2C5D24E28 (1)

Weight, g/mol:

572.184478

ΔHf, kcal/mol:

-215.15

Dipole, Da:

2.5

IP(EA), eV:

 -9.16(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[(2,4-dichlorophenyl)methyl]-3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC=C1N(C(=O)C(C2)CC(=O)N3CCOCC3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations