Geometry & MOs

Info

ID:	310448
PubChem CID:	126580469
Reduced:	N3H31C49 (1)
Stoich.:	A3B31C49 (1)
Weight, g/mol:	535.204848
ΔH_f, kcal/mol:	245.31
Dipole, Da:	0.69
IP(EA), eV:	-8.27(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-phenyl-11-(4-phenylquinazolin-2-yl)-12H-indeno[2,1-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=NC8=CC=CC=C8N=C7C9=CC=CC=C9)C1=C2C=CC2=CC=CC=C21

DOS

IR

Vibrations