Geometry & MOs

Info

ID:

428114

PubChem CID:

135166135

Reduced:

N5H33C51 (1)

Stoich.:

A5B33C51 (1)

Weight, g/mol:

715.273596

ΔHf, kcal/mol:

271.69

Dipole, Da:

1.11

IP(EA), eV:

 -8.06(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(3-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-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=CC=C(C=C8)C9=NC(=NC(=N9)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations