Geometry & MOs

Info

ID:	282186
PubChem CID:	103918252
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	256.122321
ΔH_f, kcal/mol:	-26.94
Dipole, Da:	7.81
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-fluoro-2-nitroanilino)hexan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=N2)NCCCCCCO)C=C1[N+](=O)[O-]

DOS

IR

Vibrations