Geometry & MOs

Info

ID:	324329
PubChem CID:	126677448
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	488.247521
ΔH_f, kcal/mol:	-122.95
Dipole, Da:	5.51
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCN[C@@H]([C@H]2COC3=CC4=C(CNC4=O)C=C3)CF

DOS

IR

Vibrations