Geometry & MOs

Info

ID:	375808
PubChem CID:	134221798
Reduced:	BrClF4H6C9 (1)
Stoich.:	ABC4D6E9 (1)
Weight, g/mol:	280.00745
ΔH_f, kcal/mol:	-203.19
Dipole, Da:	3.25
IP(EA), eV:	-9.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-bromo-2,2,2-trifluoroethyl)-1,2,3-trimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(C(F)(F)F)Br

DOS

IR

Vibrations