Geometry & MOs

Info

ID:	336328
PubChem CID:	127255335
Reduced:	BrClN2O3H22C33 (1)
Stoich.:	ABC2D3E22F33 (1)
Weight, g/mol:	340.17467
ΔH_f, kcal/mol:	17.08
Dipole, Da:	2.08
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-oxo-4-(3-oxopiperazin-1-yl)butanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=C3C=CC(=C6)Cl)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations