Geometry & MOs

Info

ID:	428120
PubChem CID:	135166141
Reduced:	ON5H31C51 (1)
Stoich.:	AB5C31D51 (1)
Weight, g/mol:	688.262697
ΔH_f, kcal/mol:	250.15
Dipole, Da:	1.81
IP(EA), eV:	-8.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(3,5-diphenylphenyl)-5-(4-phenylquinazolin-2-yl)indolo[3,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=NC(=NC(=N8)C9=CC1=C(C=C9)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations