Geometry & MOs

Info

ID:	137224
PubChem CID:	52172820
Reduced:	FN3O6H14C15 (1)
Stoich.:	AB3C6D14E15 (1)
Weight, g/mol:	296.17743
ΔH_f, kcal/mol:	-101.46
Dipole, Da:	5.1
IP(EA), eV:	-9.75(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-fluoro-4-nitrophenyl)-2,2,6,6-tetramethylpiperidin-1-ium-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations