Geometry & MOs

Info

ID:	166005
PubChem CID:	74624894
Reduced:	N3O4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	372.174573
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	7.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924856
Charge, e:	1

Chem-info

IUPAC name:

2-(4-acetamidophenyl)-N-(2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2O1)C=CC(=O)N3CC[NH+](CC3)CC(=O)NC4CC4)OC

DOS

IR

Vibrations