Geometry & MOs

Info

ID:	225564
PubChem CID:	85856137
Reduced:	ClNF2H8C14 (1)
Stoich.:	ABC2D8E14 (1)
Weight, g/mol:	299.01249
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	4.96
IP(EA), eV:	-9.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)Cl)C#N

DOS

IR

Vibrations