Geometry & MOs

Info

ID:

317035

PubChem CID:

126632310

Reduced:

N5H75C107 (1)

Stoich.:

A5B75C107 (1)

Weight, g/mol:

1351.563403

ΔHf, kcal/mol:

417.06

Dipole, Da:

1.42

IP(EA), eV:

 -8.16(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(9,9-dimethylfluoren-3-yl)-9-[3-[2-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9H-fluoren-3-yl)-9H-fluoren-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=C(C=C6)C7=CC8=C(C=C7)N=C(N=C8C9=CC=C(C=C9)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)C2=CC=C(C=C2)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