Geometry & MOs

Info

ID:	6280
PubChem CID:	67865
Reduced:	N2O2F3H5C7 (1)
Stoich.:	A2B2C3D5E7 (1)
Weight, g/mol:	206.030312
ΔH_f, kcal/mol:	-151.87
Dipole, Da:	6.24
IP(EA), eV:	-9.84(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations