Geometry & MOs

Info

ID:	195246
PubChem CID:	78664949
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	380.197417
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	3.92
IP(EA), eV:	-8.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=C(C=C4)O

DOS

IR

Vibrations