Geometry & MOs

Info

ID:	351630
PubChem CID:	127280522
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-158.11
Dipole, Da:	10.8
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations