Geometry & MOs

Info

ID:

428465

PubChem CID:

135167410

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

965.376999

ΔHf, kcal/mol:

267.72

Dipole, Da:

0.7

IP(EA), eV:

 -8.08(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-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)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)C8(C9=CC=CC=C97)C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C8=CC=C2

DOS

IR

Vibrations