Geometry & MOs

Info

ID:	174263
PubChem CID:	75746041
Reduced:	N2O4C24H35 (1)
Stoich.:	A2B4C24D35 (1)
Weight, g/mol:	388.149501
ΔH_f, kcal/mol:	-101.84
Dipole, Da:	4.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.073168
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[4-(2-thiophen-2-ylethyl)piperazin-4-ium-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC[NH+](C2)CC3=C(C=CC(=C3)OC)O

DOS

IR

Vibrations