Geometry & MOs

Info

ID:	260841
PubChem CID:	103206701
Reduced:	BrO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	268.05227
ΔH_f, kcal/mol:	-226.93
Dipole, Da:	3.21
IP(EA), eV:	-9.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)C(=O)COCC(F)(F)F

DOS

IR

Vibrations