Geometry & MOs

Info

ID:	3562
PubChem CID:	9795
Reduced:	NO2F3H4C7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	191.019413
ΔH_f, kcal/mol:	-137.71
Dipole, Da:	6.6
IP(EA), eV:	-11.14(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations