Geometry & MOs

Info

ID:	84079
PubChem CID:	49864014
Reduced:	N2O3H26C31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	413.175771
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	2.7
IP(EA), eV:	-9.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[10-(3-chlorophenoxy)decyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=CC(=C2)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations