Geometry & MOs

Info

ID:

428457

PubChem CID:

135167373

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

965.376999

ΔHf, kcal/mol:

268.55

Dipole, Da:

1.43

IP(EA), eV:

 -8.1(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-(3-phenylphenyl)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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5(C6=CC=CC=C64)C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C5=CC=C1)C1=CC=CC=C1C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations