Geometry & MOs

Info

ID:	282184
PubChem CID:	103918221
Reduced:	FN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	306.119127
ΔH_f, kcal/mol:	-97.4
Dipole, Da:	7.48
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-nitro-2-(trifluoromethyl)anilino]hexan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations