Geometry & MOs

Info

ID:	324098
PubChem CID:	126676918
Reduced:	NO5C20H29 (1)
Stoich.:	AB5C20D29 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-231.42
Dipole, Da:	3.24
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S,4R,6R)-4-(4-methoxyphenyl)-6-methylpiperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]([C@@H](CN1C(=O)OC(C)(C)C)C(=O)OC)C2=CC=C(C=C2)OC

DOS

IR

Vibrations