Geometry & MOs

Info

ID:	324319
PubChem CID:	126677423
Reduced:	N3O6C32H39 (1)
Stoich.:	A3B6C32D39 (1)
Weight, g/mol:	489.262757
ΔH_f, kcal/mol:	-187.06
Dipole, Da:	2.16
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S,4R)-4-[3-(2-methoxyethoxy)phenyl]-1-(2-pyrrol-1-ylethyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CN1CCN2CC[C@H]([C@@H](C2)COC3=CC4=C(CNC4=O)C=C3)C5=CC(=CC=C5)OCCOC

DOS

IR

Vibrations