Geometry & MOs

Info

ID:	218271
PubChem CID:	85089111
Reduced:	NSO4H6C7 (2)
Stoich.:	ABC4D6E7 (2)
Weight, g/mol:	444.20015
ΔH_f, kcal/mol:	-192.1
Dipole, Da:	8.19
IP(EA), eV:	-9.17(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrrolidin-2-yl)-1-undecylpyridin-1-ium;iodide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C(C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)N

DOS

IR

Vibrations