Geometry & MOs

Info

ID:

317046

PubChem CID:

126632341

Reduced:

N5H77C110 (1)

Stoich.:

A5B77C110 (1)

Weight, g/mol:

1304.558652

ΔHf, kcal/mol:

434.52

Dipole, Da:

2.01

IP(EA), eV:

 -8.15(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC7=C(C=C6)C8=C(C7(C9=CC=CC=C9)C2=CC=CC=C2)C=C(C=C8)C2=CC(=NC(=N2)N2C3=C(C=C(C=C3)C3=CC4=C(C=C3)C(C3=CC=CC=C34)(C)C)C3=CC=CC=C32)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