Geometry & MOs

Info

ID:	398038
PubChem CID:	135031458
Reduced:	NSO4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	208.089302
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	3.86
IP(EA), eV:	-8.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-[(2-chlorophenyl)methylidene]-2-methylpyrrolidin-1-ium

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC2=CC(=C(C=C2S1)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations