Geometry & MOs

Info

ID:	324136
PubChem CID:	126676999
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	410.220557
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	3.31
IP(EA), eV:	-7.98(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\NC1=CC=CC=C1)/C(=O)NC2=C([C@@H](C(=C2)O)C)C

DOS

IR

Vibrations