Geometry & MOs

Info

ID:

80478

PubChem CID:

49834654

Reduced:

N2O7C12H24 (2)

Stoich.:

A2B7C12D24 (2)

Weight, g/mol:

630.1703

ΔHf, kcal/mol:

-655.84

Dipole, Da:

5.98

IP(EA), eV:

 -9.31(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[3-[4-[(1,1-dimethylpiperidin-1-ium-4-yl)oxycarbonylamino]-3-phenylphenyl]propanoylamino]pyridin-3-yl]methanolate;hydroiodide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(CO)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CNCCCO)O)O)O)N

DOS

IR

Vibrations