Geometry & MOs

Info

ID:

428383

PubChem CID:

135167177

Reduced:

N2H50C77 (1)

Stoich.:

A2B50C77 (1)

Weight, g/mol:

1041.408299

ΔHf, kcal/mol:

334.37

Dipole, Da:

1.47

IP(EA), eV:

 -8.06(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)-N-(4-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'-ylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations