Geometry & MOs

Info

ID:

440025

PubChem CID:

135229910

Reduced:

OSF2N3C31H35 (1)

Stoich.:

ABC2D3E31F35 (1)

Weight, g/mol:

1065.397065

ΔHf, kcal/mol:

-19.53

Dipole, Da:

5.69

IP(EA), eV:

 -8.03(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine

Drug info:

PubChemData

Smile

C/C=C(\C(=C\1/C(=C)NCCN1CC2=C(C=CC(=C2O)F)F)\C)/C(=C)NC/C(=C/SC(=C)C3=CC=CC=C3)/C

DOS

IR

Vibrations