Geometry & MOs

Info

ID:

316984

PubChem CID:

126632203

Reduced:

N5H71C101 (1)

Stoich.:

A5B71C101 (1)

Weight, g/mol:

1152.487946

ΔHf, kcal/mol:

395.37

Dipole, Da:

1.92

IP(EA), eV:

 -8.23(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4,6-bis[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-2-(9,9-dimethylfluoren-3-yl)carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CC=C(C=C6)C7=CC=C(C=C7)C8=NC(=NC9=C8C=C(C=C9)N2C3=CC=CC=C3C3=C2C=C(C=C3)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)N2C3=CC=CC=C3C3=C2C=C(C=C3)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations