Geometry & MOs

Info

ID:	25991
PubChem CID:	635319
Reduced:	BrClN2O2H16C23 (1)
Stoich.:	ABC2D2E16F23 (1)
Weight, g/mol:	468.111007
ΔH_f, kcal/mol:	44.76
Dipole, Da:	8.27
IP(EA), eV:	-8.45(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dinaphthalen-1-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4Cl)Br

DOS

IR

Vibrations