Geometry & MOs

Info

ID:	298238
PubChem CID:	117648106
Reduced:	SH32C55 (1)
Stoich.:	AB32C55 (1)
Weight, g/mol:	515.96597
ΔH_f, kcal/mol:	316.59
Dipole, Da:	1.12
IP(EA), eV:	-8.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8-dibromo-5,10-diphenylindolo[3,2-b]indole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C(C4=CC=CC=C43)C5=CC6=C(C=C5)C7=C(C68C9=CC=CC=C9C1=CC=CC=C81)C=CC1=C7SC3=CC=CC=C13)C1=CC=CC=C12

DOS

IR

Vibrations