Geometry & MOs

Info

ID:	162037
PubChem CID:	57393412
Reduced:	BrClNO2H19C29 (1)
Stoich.:	ABCD2E19F29 (1)
Weight, g/mol:	527.02877
ΔH_f, kcal/mol:	45.3
Dipole, Da:	3.37
IP(EA), eV:	-9.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3-bromophenyl)-6-chloro-4-phenylquinolin-3-yl]oxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC2=C(C3=C(C=CC(=C3)Cl)N=C2C4=CC=C(C=C4)Br)C5=CC=CC=C5

DOS

IR

Vibrations