Geometry & MOs

Info

ID:

439665

PubChem CID:

135229453

Reduced:

NO2H43C66 (1)

Stoich.:

AB2C43D66 (1)

Weight, g/mol:

881.32938

ΔHf, kcal/mol:

197.95

Dipole, Da:

1.61

IP(EA), eV:

 -8.2(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)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]-2'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6O5)C7=CC8=C(C=C7)C9(C2=C(C3=CC=CC=C3C=C2)OC2=C9C=CC3=CC=CC=C32)C2=CC=CC=C28)C2=CC=CC=C21)C

DOS

IR

Vibrations