Geometry & MOs

Info

ID:

316985

PubChem CID:

126632206

Reduced:

NH10C14 (6)

Stoich.:

AB10C14 (6)

Weight, g/mol:

1380.589952

ΔHf, kcal/mol:

346.08

Dipole, Da:

0.87

IP(EA), eV:

 -8.56(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)N7C8=CC=CC=C8C9=C7C=C(C=C9)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