Geometry & MOs

Info

ID:	260961
PubChem CID:	103211302
Reduced:	BrOSF3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	453.82134
ΔH_f, kcal/mol:	-205.05
Dipole, Da:	2.81
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dibromo-2-[1-bromo-2-(2,2,2-trifluoroethoxy)ethyl]-5-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(CCOCC(F)(F)F)Br)C

DOS

IR

Vibrations