Geometry & MOs

Info

ID:	3492
PubChem CID:	9720
Reduced:	N2O2F3H9C13 (1)
Stoich.:	A2B2C3D9E13 (1)
Weight, g/mol:	282.061612
ΔH_f, kcal/mol:	-120.32
Dipole, Da:	8.58
IP(EA), eV:	-9.26(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-nitrophenyl)-3-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations