Geometry & MOs

Info

ID:

127584

PubChem CID:

51007212

Reduced:

O5C21H27 (2)

Stoich.:

A5B21C27 (2)

Weight, g/mol:

350.163043

ΔHf, kcal/mol:

-375.65

Dipole, Da:

11.06

IP(EA), eV:

 -8.7(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2-acetylphenoxy)-N-[(1R,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C1(C)C)[C@@H]([C@H]2OC(=O)CC(=O)C3=CC(=C(C=C3)OC)OC)[C@H]4[C@@H]5CC[C@]([C@H]4OC(=O)CC(=O)C6=CC(=C(C=C6)OC)OC)(C5(C)C)C

DOS

IR

Vibrations