Geometry & MOs

Info

ID:

439696

PubChem CID:

135229499

Reduced:

NOH55C89 (1)

Stoich.:

ABC55D89 (1)

Weight, g/mol:

1169.459666

ΔHf, kcal/mol:

352.61

Dipole, Da:

2.2

IP(EA), eV:

 -8.16(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-3-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(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=C(C=C5)C6=C7C8=CC=CC=C8C9(C7=CC=C6)C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC2=C(C=C1)C1(C3=CC=CC=C3C3=CC=CC=C31)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations