Geometry & MOs

Info

ID:

317048

PubChem CID:

126632343

Reduced:

N5H73C103 (1)

Stoich.:

A5B73C103 (1)

Weight, g/mol:

1385.616501

ΔHf, kcal/mol:

400.16

Dipole, Da:

2.6

IP(EA), eV:

 -8.12(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[9-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl]-1,3,5-triazin-2-yl]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC(=C6)C7=CC=C(C=C7)C8=CC(=CC=C8)C9=CC(=NC(=N9)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)C2=CC=CC=C21)C

DOS

IR

Vibrations