Geometry & MOs

Info

ID:	433572
PubChem CID:	135173712
Reduced:	N6O9C44H44 (1)
Stoich.:	A6B9C44D44 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-189.65
Dipole, Da:	3.17
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxy-5-methyl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCOCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)/C(=N/O)/CC8

DOS

IR

Vibrations