Geometry & MOs

Info

ID:

442141

PubChem CID:

135250059

Reduced:

N4H54C57 (1)

Stoich.:

A4B54C57 (1)

Weight, g/mol:

918.466148

ΔHf, kcal/mol:

153.17

Dipole, Da:

1.59

IP(EA), eV:

 -8.3(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-1-phenyl-2-[3-[3-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]phenyl]imidazole

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C=C4)C6=C(C57C8=CC=CC=C8C9=CC=CC=C79)C=C(C=C6)C1=CC=C(C=C1)N1C(=NC(C1(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations