Geometry & MOs

Info

ID:	187524
PubChem CID:	77584659
Reduced:	NO3C4H6 (2)
Stoich.:	AB3C4D6 (2)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-280.77
Dipole, Da:	6.07
IP(EA), eV:	-10.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-acetylphenoxy)ethyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)O.C1C(NC(=O)NC1=O)C(=O)O

DOS

IR

Vibrations