Geometry & MOs

Info

ID:

436887

PubChem CID:

135212611

Reduced:

N5H21C35 (1)

Stoich.:

A5B21C35 (1)

Weight, g/mol:

854.315795

ΔHf, kcal/mol:

229.39

Dipole, Da:

3.82

IP(EA), eV:

 -8.31(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-22,24-diphenyl-14,22-diazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4C5=CC=CC=C5C6=C4N7C8=CC=CC=C8C9=CC=CC=C9C7=N6

DOS

IR

Vibrations