Geometry & MOs

Info

ID:

428678

PubChem CID:

135167929

Reduced:

N3H53C84 (1)

Stoich.:

A3B53C84 (1)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

379.17

Dipole, Da:

1.11

IP(EA), eV:

 -7.87(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C5=CC=CC=C54)N(C6=CC=C(C=C6)C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations