Geometry & MOs

Info

ID:	174647
PubChem CID:	75800620
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	173.129003
ΔH_f, kcal/mol:	-33.53
Dipole, Da:	4.65
IP(EA), eV:	-8.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-piperazin-4-ium-2-ylacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C=CC(=CC2=N1)Cl)N

DOS

IR

Vibrations