Geometry & MOs

Info

ID:

439876

PubChem CID:

135229719

Reduced:

NOH35C57 (1)

Stoich.:

ABC35D57 (1)

Weight, g/mol:

881.32938

ΔHf, kcal/mol:

315.99

Dipole, Da:

3.87

IP(EA), eV:

 -7.82(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-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

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations