Geometry & MOs

Info

ID:	21116
PubChem CID:	587277
Reduced:	ClO3F6H9C17 (1)
Stoich.:	AB3C6D9E17 (1)
Weight, g/mol:	410.014441
ΔH_f, kcal/mol:	-386.55
Dipole, Da:	3.29
IP(EA), eV:	-10.05(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-2-oxoethyl] 2,6-bis(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(F)(F)F)C(=O)OCC(=O)C2=CC=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations