Geometry & MOs

Info

ID:

174248

PubChem CID:

75744229

Reduced:

ON3C11H18 (1)

Stoich.:

AB3C11D18 (1)

Weight, g/mol:

144.089878

ΔHf, kcal/mol:

-1.45

Dipole, Da:

1.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.982938

Charge, e:

 0

Chem-info

IUPAC name:

4-methylpiperazin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C(C[NH3+])C2=CC=NC=C2

DOS

IR

Vibrations