Geometry & MOs

Info

ID:

127865

PubChem CID:

51020348

Reduced:

O21C53H76 (1)

Stoich.:

A21B53C76 (1)

Weight, g/mol:

333.088019

ΔHf, kcal/mol:

-1022.69

Dipole, Da:

4.87

IP(EA), eV:

 -9.41(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[(2-chloro-1,3-oxazol-5-yl)oxy]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(C(C3C(O2)C[C@@H]4[C@@]3(CC(=O)[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C)OC1

DOS

IR

Vibrations