Geometry & MOs

Info

ID:	43198
PubChem CID:	10319454
Reduced:	Cl2O2N3H15C21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	411.06814
ΔH_f, kcal/mol:	18.36
Dipole, Da:	4.28
IP(EA), eV:	-9.57(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[6-bromo-1-(2-ethoxy-2-oxoacetyl)-3,4-dihydro-2H-quinolin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=C(C=C(N2N=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations