Geometry & MOs

Info

ID:	260944
PubChem CID:	103210497
Reduced:	ClOF3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	271.998255
ΔH_f, kcal/mol:	-215.88
Dipole, Da:	4.88
IP(EA), eV:	-9.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(COCC(F)(F)F)Cl)C

DOS

IR

Vibrations