Geometry & MOs

Info

ID:	174919
PubChem CID:	75832687
Reduced:	SO2N3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	325.191603
ΔH_f, kcal/mol:	31.35
Dipole, Da:	6.73
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)SC(C)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations