Geometry & MOs

Info

ID:

427810

PubChem CID:

135163360

Reduced:

NH27C34 (2)

Stoich.:

AB27C34 (2)

Weight, g/mol:

912.407964

ΔHf, kcal/mol:

213.49

Dipole, Da:

3.03

IP(EA), eV:

 -7.8(-0.63)

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]dibenzofuran-2-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)C1=CC=CC=C1C9(C)C)C1=CC=CC=C1C1=CC=CC=C1)C1=CC=CC=C15)C

DOS

IR

Vibrations