Geometry & MOs

Info

ID:	336399
PubChem CID:	127255406
Reduced:	Na2P3N5C11O12H16 (1)
Stoich.:	A2B3C5D11E12F16 (1)
Weight, g/mol:	302.080013
ΔH_f, kcal/mol:	-740.96
Dipole, Da:	27.64
IP(EA), eV:	-9.24(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-carboxyethyl)piperazin-1-yl]propanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(CP(=O)(O)O)[O-])O)O)N.[Na+].[Na+]

DOS

IR

Vibrations