Geometry & MOs

Info

ID:	127311
PubChem CID:	50997897
Reduced:	BrFCl2H2C6 (1)
Stoich.:	ABC2D2E6 (1)
Weight, g/mol:	260.98007
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	1.09
IP(EA), eV:	-9.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-3-bromo-5-fluorobenzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)F)Br)Cl

DOS

IR

Vibrations