Geometry & MOs

Info

ID:	6304
PubChem CID:	67972
Reduced:	NF3H4C8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	171.029584
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	5.78
IP(EA), eV:	-10.71(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations