Geometry & MOs

Info

ID:	371946
PubChem CID:	131281958
Reduced:	BrOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	293.98671
ΔH_f, kcal/mol:	-186.67
Dipole, Da:	3.76
IP(EA), eV:	-9.84(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CC1=C(C(=CC=C1)CBr)C(F)(F)F

DOS

IR

Vibrations