Geometry & MOs

Info

ID:	22879
PubChem CID:	599354
Reduced:	ClO2F3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	314.032142
ΔH_f, kcal/mol:	-206.8
Dipole, Da:	2.51
IP(EA), eV:	-9.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)C2=CC=C(C=C2)C(F)(F)F)Cl

DOS

IR

Vibrations