Geometry & MOs

Info

ID:

428179

PubChem CID:

135166385

Reduced:

N3H49C77 (1)

Stoich.:

A3B49C77 (1)

Weight, g/mol:

1015.392649

ΔHf, kcal/mol:

350.1

Dipole, Da:

2.76

IP(EA), eV:

 -8.03(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(2-naphthalen-1-ylphenyl)phenyl]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=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5C6=CC=CC=C6C7=CC=CC8=CC=CC=C87)C9=CC=CC1=C9C3=CC=CC=C3C11C3=CC=CC=C3N3C4=CC=CC=C4C4=C3C1=CC=C4)C1=CC=CC=C12

DOS

IR

Vibrations