Geometry & MOs

Info

ID:

428889

PubChem CID:

135168384

Reduced:

N2H50C81 (1)

Stoich.:

A2B50C81 (1)

Weight, g/mol:

976.345364

ΔHf, kcal/mol:

373.79

Dipole, Da:

1.98

IP(EA), eV:

 -7.99(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations