Geometry & MOs

Info

ID:	257629
PubChem CID:	103147471
Reduced:	BrO2F4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	316.089799
ΔH_f, kcal/mol:	-284.35
Dipole, Da:	4.97
IP(EA), eV:	-9.58(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations