Geometry & MOs

Info

ID:	21086
PubChem CID:	587126
Reduced:	BrClFO2H7C13 (1)
Stoich.:	ABCD2E7F13 (1)
Weight, g/mol:	327.9302
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	3.61
IP(EA), eV:	-9.54(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-fluorophenyl) 2-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)F)Br)Cl

DOS

IR

Vibrations