Geometry & MOs

Info

ID:	225561
PubChem CID:	85856109
Reduced:	N2F3H7C15 (1)
Stoich.:	A2B3C7D15 (1)
Weight, g/mol:	290.046711
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	7.75
IP(EA), eV:	-10.31(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations