Geometry & MOs

Info

ID:

436894

PubChem CID:

135212705

Reduced:

ON3H27C45 (1)

Stoich.:

AB3C27D45 (1)

Weight, g/mol:

624.231397

ΔHf, kcal/mol:

207.35

Dipole, Da:

5.85

IP(EA), eV:

 -8.09(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-phenyl-9-(9-phenylcarbazol-3-yl)-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)C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC=C(C=C5)N6C7=CC=CC=C7C8=C6N9C1=CC=CC=C1C1=CC=CC=C1C9=N8

DOS

IR

Vibrations