Geometry & MOs

Info

ID:

317011

PubChem CID:

126632268

Reduced:

N5H69C99 (1)

Stoich.:

A5B69C99 (1)

Weight, g/mol:

1305.553901

ΔHf, kcal/mol:

390.85

Dipole, Da:

1.57

IP(EA), eV:

 -8.15(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N=C(N=C8C9=CC=C(C1=CC=CC=C19)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations