Geometry & MOs

Info

ID:	260943
PubChem CID:	103210468
Reduced:	BrF2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	266.068527
ΔH_f, kcal/mol:	-251.91
Dipole, Da:	4.0
IP(EA), eV:	-9.21(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,2-dimethylbenzene

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(CCOCC(F)F)O)OC)Br

DOS

IR

Vibrations