Geometry & MOs

Info

ID:

427811

PubChem CID:

135163364

Reduced:

ON2H52C68 (1)

Stoich.:

AB2C52D68 (1)

Weight, g/mol:

928.385121

ΔHf, kcal/mol:

187.42

Dipole, Da:

3.26

IP(EA), eV:

 -7.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]dibenzothiophen-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)N5C6=C(C=C(C=C6)C7=CC=C(C=C7)N(C8=CC9=C(C=C8)OC1=CC=CC=C19)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC=CC=C15)C

DOS

IR

Vibrations