Geometry & MOs

Info

ID:

439859

PubChem CID:

135229702

Reduced:

NOH51C83 (1)

Stoich.:

ABC51D83 (1)

Weight, g/mol:

908.365431

ΔHf, kcal/mol:

327.78

Dipole, Da:

1.01

IP(EA), eV:

 -8.04(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-[3-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)propyl]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(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C16)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