Geometry & MOs

Info

ID:

428758

PubChem CID:

135168088

Reduced:

NH20C33 (2)

Stoich.:

AB20C33 (2)

Weight, g/mol:

1026.361014

ΔHf, kcal/mol:

301.43

Dipole, Da:

1.26

IP(EA), eV:

 -8.07(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[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)N(C2=CC3=C(C=C2)C4=CC=CC=C4C35C6=C(C7=CC=CC=C7C=C6)C8=CC=CC=C58)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations