Geometry & MOs

Info

ID:

439756

PubChem CID:

135229576

Reduced:

NOH37C57 (1)

Stoich.:

ABC37D57 (1)

Weight, g/mol:

675.256215

ΔHf, kcal/mol:

206.46

Dipole, Da:

0.96

IP(EA), eV:

 -8.06(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-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]-4'-ylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21

DOS

IR

Vibrations