Geometry & MOs

Info

ID:

317019

PubChem CID:

126632291

Reduced:

OSN5H63C101 (1)

Stoich.:

ABC5D63E101 (1)

Weight, g/mol:

1381.585201

ΔHf, kcal/mol:

417.85

Dipole, Da:

3.22

IP(EA), eV:

 -8.22(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9,9-dimethylfluoren-2-yl)-9-[4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]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=CC=CC(=C7)C8=NC(=NC9=C8C=C(C=C9)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2O3)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2S3)C2=CC=CC=C21)C

DOS

IR

Vibrations