Geometry & MOs

Info

ID:	324328
PubChem CID:	126677441
Reduced:	N2O6C29H38 (1)
Stoich.:	A2B6C29D38 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	-236.9
Dipole, Da:	5.18
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](CCN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)OCCOC)COC3=CC4=C(CNC4=O)C=C3

DOS

IR

Vibrations