Geometry & MOs

Info

ID:

317039

PubChem CID:

126632325

Reduced:

N5H63C89 (1)

Stoich.:

A5B63C89 (1)

Weight, g/mol:

1228.519246

ΔHf, kcal/mol:

353.33

Dipole, Da:

2.91

IP(EA), eV:

 -8.14(-1.4)

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-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]-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=CC7=C(C=C6)N=C(N=C7N8C9=C(C=C(C=C9)C2=CC3=C(C=C2)C(C2=CC=CC=C23)(C)C)C2=CC=CC=C28)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