Geometry & MOs

Info

ID:	174643
PubChem CID:	75800428
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	359.06204
ΔH_f, kcal/mol:	-1.13
Dipole, Da:	3.27
IP(EA), eV:	-8.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-iodobenzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations