Geometry & MOs

Info

ID:

428705

PubChem CID:

135167967

Reduced:

NH21C35 (2)

Stoich.:

AB21C35 (2)

Weight, g/mol:

1042.338171

ΔHf, kcal/mol:

316.55

Dipole, Da:

1.52

IP(EA), eV:

 -7.89(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-3-ylphenyl)-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-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=C2C(=C1)C=CC=C2N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1)C1=CC2=C(C=C1)C1=C(C22C3=CC=CC=C3C3=CC=CC=C23)C=CC2=CC=CC=C21

DOS

IR

Vibrations