Geometry & MOs

Info

ID:

174450

PubChem CID:

75765291

Reduced:

ClON3C14H15 (1)

Stoich.:

ABC3D14E15 (1)

Weight, g/mol:

226.168128

ΔHf, kcal/mol:

42.27

Dipole, Da:

7.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.043344

Charge, e:

 0

Chem-info

IUPAC name:

1-(1,3-dimethylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1CC3=CC=CO3)C=CC(=C2)Cl)[NH3+]

DOS

IR

Vibrations