Geometry & MOs

Info

ID:	260847
PubChem CID:	103206836
Reduced:	BrF2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	355.98711
ΔH_f, kcal/mol:	-207.99
Dipole, Da:	4.38
IP(EA), eV:	-9.39(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)CCOCC(F)F)Br

DOS

IR

Vibrations