Geometry & MOs

Info

ID:	199968
PubChem CID:	79325186
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	2.25
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyrrole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)CN2C=CC=C2C(=O)O

DOS

IR

Vibrations