Geometry & MOs

Info

ID:

428373

PubChem CID:

135167143

Reduced:

ON2H48C77 (1)

Stoich.:

AB2C48D77 (1)

Weight, g/mol:

1015.392649

ΔHf, kcal/mol:

309.55

Dipole, Da:

0.83

IP(EA), eV:

 -8.0(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]-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]-2'-ylnaphthalen-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C8=CC=C(C9=CC=CC=C98)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations