Geometry & MOs

Info

ID:	371629
PubChem CID:	131269215
Reduced:	BrOF4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	297.96164
ΔH_f, kcal/mol:	-225.55
Dipole, Da:	2.0
IP(EA), eV:	-10.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C(=CC=C1)F)C(F)(F)F)Br

DOS

IR

Vibrations