Geometry & MOs

Info

ID:

428665

PubChem CID:

135167916

Reduced:

NH20C33 (2)

Stoich.:

AB20C33 (2)

Weight, g/mol:

986.366099

ΔHf, kcal/mol:

299.0

Dipole, Da:

1.29

IP(EA), eV:

 -7.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-N-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-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=C7C8=CC=CC=C68)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations