Geometry & MOs

Info

ID:	10071
PubChem CID:	96746
Reduced:	NH3F6C9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	239.016968
ΔH_f, kcal/mol:	-265.44
Dipole, Da:	0.51
IP(EA), eV:	-11.3(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C#N

DOS

IR

Vibrations