Geometry & MOs

Info

ID:	72771
PubChem CID:	48416527
Reduced:	ClN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	4.63
IP(EA), eV:	-9.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations