Geometry & MOs

Info

ID:

428131

PubChem CID:

135166184

Reduced:

N5H33C51 (1)

Stoich.:

A5B33C51 (1)

Weight, g/mol:

688.262697

ΔHf, kcal/mol:

263.07

Dipole, Da:

1.88

IP(EA), eV:

 -8.06(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)C7=C(N6)C(=CC=C7)C8=CC=C(C=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations