Geometry & MOs

Info

ID:

440001

PubChem CID:

135229872

Reduced:

NOH55C89 (1)

Stoich.:

ABC55D89 (1)

Weight, g/mol:

1169.459666

ΔHf, kcal/mol:

349.99

Dipole, Da:

0.89

IP(EA), eV:

 -8.05(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]phenyl]-9-(1-methylnaphthalen-2-yl)fluoren-9-yl]naphthalen-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC3=CC=CC=C31)C1=CC3=C(C=C1)C1=CC=CC=C1C31C3=CC=CC=C3C3=CC=CC=C13)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations