Geometry & MOs

Info

ID:	165910
PubChem CID:	74612958
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	451.08825
ΔH_f, kcal/mol:	-104.47
Dipole, Da:	9.23
IP(EA), eV:	-8.6(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-iodo-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC=C2NC(=O)C=CC3=CC=C(C=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations