Geometry & MOs

Info

ID:

436883

PubChem CID:

135212564

Reduced:

N4H28C45 (1)

Stoich.:

A4B28C45 (1)

Weight, g/mol:

624.231397

ΔHf, kcal/mol:

240.07

Dipole, Da:

3.97

IP(EA), eV:

 -8.16(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-[4-(9-phenylcarbazol-4-yl)phenyl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=C6N=C9N8C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations