Geometry & MOs

Info

ID:	303299
PubChem CID:	124489479
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	282.07712
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	2.45
IP(EA), eV:	-9.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(4-chlorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN([C@H](C(=O)N1)CC(=O)O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations