Geometry & MOs

Info

ID:	25281
PubChem CID:	622235
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	334.090467
ΔH_f, kcal/mol:	-0.97
Dipole, Da:	7.97
IP(EA), eV:	-8.81(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]aniline

Drug info:

PubChemData

Smile

CCCCOC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations