Geometry & MOs

Info

ID:	303298
PubChem CID:	124489478
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	282.07712
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	6.91
IP(EA), eV:	-10.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-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=NC=C2

DOS

IR

Vibrations