Geometry & MOs

Info

ID:

440070

PubChem CID:

135229955

Reduced:

NO2H35C57 (1)

Stoich.:

AB2C35D57 (1)

Weight, g/mol:

1076.401816

ΔHf, kcal/mol:

183.37

Dipole, Da:

1.31

IP(EA), eV:

 -8.15(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-[(9,9-diphenylfluoren-3-yl)-(9,9'-spirobi[fluorene]-2-yl)methyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC4=C(C=C3)OC5=CC=CC=C54)C6=CC=CC7=C6C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations