Geometry & MOs

Info

ID:	29349
PubChem CID:	833227
Reduced:	N2F3O3C16H17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	186.100442
ΔH_f, kcal/mol:	-256.24
Dipole, Da:	7.08
IP(EA), eV:	-9.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-piperazin-1-ylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N([C@@](NC1=O)(C2=CC=CC=C2)C(F)(F)F)C)C

DOS

IR

Vibrations