Geometry & MOs

Info

ID:

226971

PubChem CID:

87559290

Reduced:

ZnH6C8O10 (1)

Stoich.:

AB6C8D10 (1)

Weight, g/mol:

810.325372

ΔHf, kcal/mol:

-403.81

Dipole, Da:

3.8

IP(EA), eV:

 -10.51(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-(7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;2,2,2-trifluoro-1-[4-(7-naphthalen-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C(C(=O)C(=O)O)C(=O)[O-].C(C(=O)C(=O)O)C(=O)[O-].[Zn+2]

DOS

IR

Vibrations