Geometry & MOs

Info

ID:	225558
PubChem CID:	85856095
Reduced:	NF6H7C15 (1)
Stoich.:	AB6C7D15 (1)
Weight, g/mol:	290.046711
ΔH_f, kcal/mol:	-243.02
Dipole, Da:	3.34
IP(EA), eV:	-10.37(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations