Geometry & MOs

Info

ID:	324811
PubChem CID:	126678391
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	478.246772
ΔH_f, kcal/mol:	-189.91
Dipole, Da:	1.7
IP(EA), eV:	-8.82(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,2S,3R,5R)-3-(4-methoxyphenyl)-2-[(3-oxo-1,2-dihydroisoindol-5-yl)oxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([C@@H](C2)C3=CC=C(C=C3)OC)CO

DOS

IR

Vibrations