Geometry & MOs

Info

ID:

127581

PubChem CID:

51007104

Reduced:

NO36C49H75 (1)

Stoich.:

AB36C49D75 (1)

Weight, g/mol:

383.184506

ΔHf, kcal/mol:

-1573.67

Dipole, Da:

3.46

IP(EA), eV:

 -8.85(-0.46)

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-(5-morpholin-4-ylfuran-2-yl)oxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)NC[C@H]2[C@H]3[C@H]([C@@H]([C@@H](O2)O[C@H]4[C@@H](O[C@H]([C@H]([C@@H]4O)O)O[C@H]5[C@@H](O[C@H]([C@H]([C@@H]5O)O)O[C@H]6[C@@H](O[C@H]([C@H]([C@@H]6O)O)O[C@H]7[C@@H](O[C@H]([C@H]([C@@H]7O)O)O[C@H]8[C@@H](O[C@H]([C@@H]([C@@H]8O)O)O[C@H]9[C@@H](O[C@@H](O3)[C@H]([C@@H]9O)O)CO)CO)CO)CO)CO)CO)O)O

DOS

IR

Vibrations