Geometry & MOs

Info

ID:

141880

PubChem CID:

52944806

Reduced:

O5C26H40 (2)

Stoich.:

A5B26C40 (2)

Weight, g/mol:

470.231791

ΔHf, kcal/mol:

-409.47

Dipole, Da:

1.92

IP(EA), eV:

 -9.99(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2S,4R)-2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-ylidene]amino]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CCC=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC5(C4)OOC6(CC[C@]7([C@@H](C6)CC[C@@H]8[C@@H]7C[C@@H]([C@]9([C@H]8CC[C@@H]9[C@H](C)CCC=O)C)OC(=O)C)C)OO5)C)OC(=O)C)C

DOS

IR

Vibrations