Geometry & MOs

Info

ID:

317180

PubChem CID:

126632757

Reduced:

SN7H49C78 (1)

Stoich.:

AB7C49D78 (1)

Weight, g/mol:

1125.451895

ΔHf, kcal/mol:

384.01

Dipole, Da:

0.98

IP(EA), eV:

 -8.12(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=NC(=NC(=N7)N8C9=CC=CC=C9C1=C8C=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)N1C2=C(C3=CC=CC=C31)C1=C(C=C2)C2=CC=CC=C2S1)C

DOS

IR

Vibrations