Geometry & MOs

Info

ID:	391901
PubChem CID:	135010754
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-116.91
Dipole, Da:	5.06
IP(EA), eV:	-9.36(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H](CO)[C@@H](CN1C(=O)C2=CC=CC=C2C1=O)OCC3=CC=CC=C3

DOS

IR

Vibrations