Geometry & MOs

Info

ID:

439761

PubChem CID:

135229581

Reduced:

NO2H51C82 (1)

Stoich.:

AB2C51D82 (1)

Weight, g/mol:

1169.459666

ΔHf, kcal/mol:

287.03

Dipole, Da:

2.18

IP(EA), eV:

 -8.08(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-4-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=CC7=C(C=C6)OC8=CC=CC=C87)C9=CC=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations