Geometry & MOs

Info

ID:

445097

PubChem CID:

135264530

Reduced:

N4H32C49 (1)

Stoich.:

A4B32C49 (1)

Weight, g/mol:

603.242296

ΔHf, kcal/mol:

241.06

Dipole, Da:

5.19

IP(EA), eV:

 -7.89(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)pyrrolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)NC7=C6C=CC8=C7N(C=C8)C9=CC=CC=C9)C1=CC=CC=C13)C1=CC=CC=C1

DOS

IR

Vibrations