Geometry & MOs

Info

ID:

319509

PubChem CID:

126656460

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

857.315461

ΔHf, kcal/mol:

248.8

Dipole, Da:

3.42

IP(EA), eV:

 -8.16(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[3-(9-phenylcarbazol-2-yl)phenyl]-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),17,19,22-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=C6C(=C7C(=C5)C8=CC=CC=C8O7)C9=CC=CC=C9N6C1=NC2=CC=CC=C2C(=N1)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations