Geometry & MOs

Info

ID:	381448
PubChem CID:	134972190
Reduced:	N4O5C22H24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	424.17467
ΔH_f, kcal/mol:	-169.83
Dipole, Da:	2.51
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-oxo-1,4-bis(phenylcarbamoyl)piperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC(CNC(=O)NC1=CC=CC=C1)N2CC(=O)N(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations