Geometry & MOs

Info

ID:	22883
PubChem CID:	599424
Reduced:	ClO2F3H8C14 (1)
Stoich.:	AB2C3D8E14 (1)
Weight, g/mol:	300.016492
ΔH_f, kcal/mol:	-196.25
Dipole, Da:	2.43
IP(EA), eV:	-9.55(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl) 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations