Geometry & MOs

Info

ID:

428318

PubChem CID:

135166934

Reduced:

NH24C35 (2)

Stoich.:

AB24C35 (2)

Weight, g/mol:

1041.408299

ΔHf, kcal/mol:

280.93

Dipole, Da:

1.3

IP(EA), eV:

 -7.87(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=CC=C1C1=CC=C(C=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations