Geometry & MOs

Info

ID:	3585
PubChem CID:	9821
Reduced:	NO2F3H4C7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	191.019413
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	1.87
IP(EA), eV:	-11.14(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations