Geometry & MOs

Info

ID:	23605
PubChem CID:	605085
Reduced:	NH3F4C8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	189.020162
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	4.37
IP(EA), eV:	-10.78(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(F)(F)F)C#N

DOS

IR

Vibrations