Geometry & MOs

Info

ID:	6725
PubChem CID:	69716
Reduced:	ClF3H6C8 (1)
Stoich.:	AB3C6D8 (1)
Weight, g/mol:	194.011012
ΔH_f, kcal/mol:	-153.18
Dipole, Da:	3.51
IP(EA), eV:	-10.26(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CCl

DOS

IR

Vibrations