Geometry & MOs

Info

ID:

428874

PubChem CID:

135168322

Reduced:

SN2H46C74 (1)

Stoich.:

AB2C46D74 (1)

Weight, g/mol:

986.366099

ΔHf, kcal/mol:

331.8

Dipole, Da:

1.28

IP(EA), eV:

 -8.11(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C7=CC=CC8=C7SC9=CC=CC=C89)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations