Geometry & MOs

Info

ID:

428333

PubChem CID:

135167011

Reduced:

ON2H46C73 (1)

Stoich.:

AB2C46D73 (1)

Weight, g/mol:

1041.408299

ΔHf, kcal/mol:

289.96

Dipole, Da:

1.31

IP(EA), eV:

 -8.05(-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]-2-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]-2'-ylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC=CC=C8C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations