Geometry & MOs

Info

ID:

317008

PubChem CID:

126632260

Reduced:

N5H65C91 (1)

Stoich.:

A5B65C91 (1)

Weight, g/mol:

1227.523997

ΔHf, kcal/mol:

358.24

Dipole, Da:

1.04

IP(EA), eV:

 -8.49(-1.14)

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]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=C6C5C7=CC=CC(=C7)C8=NC(=NC(=N8)N9C1=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