Geometry & MOs

Info

ID:	324124
PubChem CID:	126676967
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	398.200571
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	6.99
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)OCCF)COC3=CC4=C(CNC4=O)C=C3

DOS

IR

Vibrations