Geometry & MOs

Info

ID:	24131
PubChem CID:	607989
Reduced:	ClOF3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	234.005927
ΔH_f, kcal/mol:	-171.11
Dipole, Da:	3.59
IP(EA), eV:	-10.46(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)Cl

DOS

IR

Vibrations