Geometry & MOs

Info

ID:	43220
PubChem CID:	10319827
Reduced:	NSF3O4C18H34 (1)
Stoich.:	ABC3D4E18F34 (1)
Weight, g/mol:	268.26404
ΔH_f, kcal/mol:	-369.94
Dipole, Da:	13.74
IP(EA), eV:	-10.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-dodecyl-1-methylpyrrolidin-1-ium-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1(CCC(=O)C1)C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations