Geometry & MOs

Info

ID:	225557
PubChem CID:	85856093
Reduced:	BrNF2H6C13 (1)
Stoich.:	ABC2D6E13 (1)
Weight, g/mol:	315.048268
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	4.8
IP(EA), eV:	-10.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations