Geometry & MOs

Info

ID:	426615
PubChem CID:	135152149
Reduced:	N2O4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	3.92
IP(EA), eV:	-9.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations