Geometry & MOs

Info

ID:	371605
PubChem CID:	131269089
Reduced:	BrOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	383.8183
ΔH_f, kcal/mol:	-178.36
Dipole, Da:	1.18
IP(EA), eV:	-10.09(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[2-bromo-3-(bromomethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)CBr)CCC=O

DOS

IR

Vibrations