Geometry & MOs

Info

ID:

428359

PubChem CID:

135167101

Reduced:

NH26C42 (2)

Stoich.:

AB26C42 (2)

Weight, g/mol:

1090.4287

ΔHf, kcal/mol:

372.12

Dipole, Da:

0.34

IP(EA), eV:

 -8.06(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]-N-(6-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-2-yl)fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3N(C4=CC5=C(C=C4)C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1N1C2=CC=CC=C2C2=C1C9=CC=C2)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations