Geometry & MOs

Info

ID:	225562
PubChem CID:	85856113
Reduced:	N2F4H6C15 (1)
Stoich.:	A2B4C6D15 (1)
Weight, g/mol:	330.059167
ΔH_f, kcal/mol:	-93.3
Dipole, Da:	6.01
IP(EA), eV:	-10.42(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations