Geometry & MOs

Info

ID:

428387

PubChem CID:

135167181

Reduced:

ON2H46C73 (1)

Stoich.:

AB2C46D73 (1)

Weight, g/mol:

1090.4287

ΔHf, kcal/mol:

293.46

Dipole, Da:

2.28

IP(EA), eV:

 -8.09(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]-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'-ylnaphthalen-1-yl)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations