Geometry & MOs

Info

ID:	21155
PubChem CID:	587358
Reduced:	ClNBr2O2H8C16 (1)
Stoich.:	ABC2D2E8F16 (1)
Weight, g/mol:	440.85898
ΔH_f, kcal/mol:	3.37
Dipole, Da:	2.48
IP(EA), eV:	-9.43(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dibromoquinolin-8-yl) 3-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br

DOS

IR

Vibrations