Geometry & MOs

Info

ID:

428940

PubChem CID:

135168466

Reduced:

ON2H44C74 (1)

Stoich.:

AB2C44D74 (1)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

302.69

Dipole, Da:

0.4

IP(EA), eV:

 -7.95(-0.67)

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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)N(C7=CC=C(C=C7)C8=CC9=C(C=C8)OC1=CC=CC=C19)C1=CC2=C(C=C1)C1(C3=CC=CC=C32)C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations