Geometry & MOs

Info

ID:

436867

PubChem CID:

135212424

Reduced:

N4H28C45 (1)

Stoich.:

A4B28C45 (1)

Weight, g/mol:

778.284495

ΔHf, kcal/mol:

243.09

Dipole, Da:

6.72

IP(EA), eV:

 -8.07(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5N8C9=CC=CC=C9C1=CC=CC=C1C8=N7)C1=CC=CC=C12

DOS

IR

Vibrations