Geometry & MOs

Info

ID:

429117

PubChem CID:

135168904

Reduced:

NH24C38 (2)

Stoich.:

AB24C38 (2)

Weight, g/mol:

1054.4287

ΔHf, kcal/mol:

336.77

Dipole, Da:

0.38

IP(EA), eV:

 -8.02(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-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(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC6=CC=CC=C65)C7=CC=C(C8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations