Geometry & MOs

Info

ID:

439878

PubChem CID:

135229722

Reduced:

ClFO2N5C25H27 (1)

Stoich.:

ABC2D5E25F27 (1)

Weight, g/mol:

1068.407964

ΔHf, kcal/mol:

-32.33

Dipole, Da:

4.15

IP(EA), eV:

 -8.03(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(4-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)phenyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)Cl)C(C)N2CCNC3=NC=C(N=C32)OC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations