Geometry & MOs

Info

ID:

428388

PubChem CID:

135167182

Reduced:

NH27C42 (2)

Stoich.:

AB27C42 (2)

Weight, g/mol:

965.376999

ΔHf, kcal/mol:

366.67

Dipole, Da:

0.92

IP(EA), eV:

 -7.93(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbazol-9-ylphenyl)-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=CC=C3N(C4=CC5=C(C=C4)C6=CC=CC=C6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C1=CC=CC=C19)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations