Geometry & MOs

Info

ID:	22896
PubChem CID:	599581
Reduced:	OCl2F3H7C14 (1)
Stoich.:	AB2C3D7E14 (1)
Weight, g/mol:	317.982605
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	2.74
IP(EA), eV:	-10.2(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations