Geometry & MOs

Info

ID:	448378
PubChem CID:	135290486
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	398.15902
ΔH_f, kcal/mol:	-94.07
Dipole, Da:	2.03
IP(EA), eV:	-8.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-3-yl]phenyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)COC2=C(C=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3C(=O)O)OC

DOS

IR

Vibrations