Geometry & MOs

Info

ID:	433150
PubChem CID:	135173287
Reduced:	OC14H18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	486.143628
ΔH_f, kcal/mol:	-30.9
Dipole, Da:	1.35
IP(EA), eV:	-9.23(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-ylmethyl)-5-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]methoxy]pyran-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(C12COCC3=CC=CC=C23)C

DOS

IR

Vibrations