Geometry & MOs

Info

ID:	23418
PubChem CID:	603446
Reduced:	FNH2C4 (3)
Stoich.:	ABC2D4 (3)
Weight, g/mol:	249.051382
ΔH_f, kcal/mol:	-37.88
Dipole, Da:	5.71
IP(EA), eV:	-10.89(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(trifluoromethyl)phenyl]ethane-1,1,2-tricarbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations