Geometry & MOs

Info

ID:	351529
PubChem CID:	127280417
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	379.221954
ΔH_f, kcal/mol:	-22.6
Dipole, Da:	6.01
IP(EA), eV:	-9.33(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations