Geometry & MOs

Info

ID:	370885
PubChem CID:	127341209
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	372.183127
ΔH_f, kcal/mol:	-38.44
Dipole, Da:	2.47
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-oxoethyl]-3-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)N2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations