Geometry & MOs

Info

ID:

428814

PubChem CID:

135168193

Reduced:

NH21C35 (2)

Stoich.:

AB21C35 (2)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

319.22

Dipole, Da:

0.76

IP(EA), eV:

 -8.05(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N(C4=CC=CC5=C4C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations