Geometry & MOs

Info

ID:

428124

PubChem CID:

135166145

Reduced:

N5H37C57 (1)

Stoich.:

A5B37C57 (1)

Weight, g/mol:

762.278347

ΔHf, kcal/mol:

295.0

Dipole, Da:

1.13

IP(EA), eV:

 -8.06(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-(4-phenylquinazolin-2-yl)phenyl]-5-triphenylen-2-ylindolo[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=CC=C(C=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations