Geometry & MOs

Info

ID:	195247
PubChem CID:	78664950
Reduced:	N3O3C22H26 (1)
Stoich.:	A3B3C22D26 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756785
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

DOS

IR

Vibrations