Geometry & MOs

Info

ID:

173907

PubChem CID:

75696830

Reduced:

ClN3O5C23H25 (1)

Stoich.:

AB3C5D23E25 (1)

Weight, g/mol:

202.134423

ΔHf, kcal/mol:

-142.96

Dipole, Da:

12.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762555

Charge, e:

 1

Chem-info

IUPAC name:

1-piperidin-1-ium-3-ylbenzimidazole

Drug info:

PubChemData

Smile

C1C(NCC2=CC=CC=C21)C(=O)NCC(CC(=O)NC(CO)C(=O)[O-])C3=CC=C(C=C3)Cl

DOS

IR

Vibrations