Geometry & MOs

Info

ID:	260958
PubChem CID:	103211025
Reduced:	BrO2F3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	397.87633
ΔH_f, kcal/mol:	-233.43
Dipole, Da:	5.36
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(COCC(F)(F)F)Br

DOS

IR

Vibrations