Geometry & MOs

Info

ID:

439795

PubChem CID:

135229616

Reduced:

NOH35C55 (1)

Stoich.:

ABC35D55 (1)

Weight, g/mol:

816.314064

ΔHf, kcal/mol:

204.43

Dipole, Da:

0.86

IP(EA), eV:

 -8.44(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-naphthalen-1-yl-1-N,1-N-diphenyl-4-N-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]-3'-ylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)C5(C6=C(C7=CC=CC=C7C=C6)OC8=C5C=CC9=CC=CC=C98)C1=CC=CC=C14)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations