Geometry & MOs

Info

ID:

317005

PubChem CID:

126632255

Reduced:

N5H63C89 (1)

Stoich.:

A5B63C89 (1)

Weight, g/mol:

1304.558652

ΔHf, kcal/mol:

349.92

Dipole, Da:

1.13

IP(EA), eV:

 -8.22(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC8=C(C=C7)N=C(N=C8N9C1=CC=CC=C1C1=C9C=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations