Geometry & MOs

Info

ID:	353218
PubChem CID:	127284398
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	389.169919
ΔH_f, kcal/mol:	-61.14
Dipole, Da:	3.87
IP(EA), eV:	-9.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[2-oxo-2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2=CNC(=O)C=C2)N3C=CC=N3

DOS

IR

Vibrations