Geometry & MOs

Info

ID:

428356

PubChem CID:

135167098

Reduced:

NH27C42 (2)

Stoich.:

AB27C42 (2)

Weight, g/mol:

976.38175

ΔHf, kcal/mol:

367.47

Dipole, Da:

0.48

IP(EA), eV:

 -7.85(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]-6-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'-ylnaphthalen-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3N(C4=CC5=C(C=C4)C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations