Geometry & MOs

Info

ID:	303297
PubChem CID:	124489477
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-95.42
Dipole, Da:	7.23
IP(EA), eV:	-10.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-3-oxo-1-(pyridin-4-ylmethyl)piperazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations