Geometry & MOs

Info

ID:	282185
PubChem CID:	103918243
Reduced:	N2F3O3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-213.95
Dipole, Da:	7.57
IP(EA), eV:	-9.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-nitroquinolin-2-yl)amino]hexan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations