Geometry & MOs

Info

ID:	7283
PubChem CID:	71914
Reduced:	SN2O2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	359.179324
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	3.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752863
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxy-N-methyl-N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CN(CC[N+]1(CCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O

DOS

IR

Vibrations