Geometry & MOs

Info

ID:	29409
PubChem CID:	833630
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	200.079707
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	3.21
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(3-oxopiperazin-1-yl)butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2COC3=CC=CC=C3O2

DOS

IR

Vibrations