Geometry & MOs

Info

ID:

428882

PubChem CID:

135168339

Reduced:

NH22C35 (2)

Stoich.:

AB22C35 (2)

Weight, g/mol:

1053.408299

ΔHf, kcal/mol:

309.66

Dipole, Da:

0.79

IP(EA), eV:

 -8.06(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)C8=CC=CC=C8C=C7)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations