Geometry & MOs

Info

ID:

317003

PubChem CID:

126632252

Reduced:

N5H69C99 (1)

Stoich.:

A5B69C99 (1)

Weight, g/mol:

1278.543002

ΔHf, kcal/mol:

388.51

Dipole, Da:

0.81

IP(EA), eV:

 -8.29(-1.39)

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-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]naphthalen-1-yl]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)C=C(C=C8)C9=NC(=NC1=C9C=C(C=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)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