Geometry & MOs

Info

ID:	295693
PubChem CID:	117542803
Reduced:	ClN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	180.053492
ΔH_f, kcal/mol:	-72.92
Dipole, Da:	5.76
IP(EA), eV:	-9.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)piperazine-2,3-dione

Drug info:

PubChemData

Smile

CN1CC(N(C1=O)CCO)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations