Geometry & MOs

Info

ID:	24275
PubChem CID:	608981
Reduced:	N2O2F3H5C9 (1)
Stoich.:	A2B2C3D5E9 (1)
Weight, g/mol:	230.030312
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	5.73
IP(EA), eV:	-11.27(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-nitro-6-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])CC#N)C(F)(F)F

DOS

IR

Vibrations