Geometry & MOs

Info

ID:

442143

PubChem CID:

135250068

Reduced:

N4H58C67 (1)

Stoich.:

A4B58C67 (1)

Weight, g/mol:

658.236876

ΔHf, kcal/mol:

222.43

Dipole, Da:

3.75

IP(EA), eV:

 -8.37(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[3-[6-(4,5-dihydro-1,3-oxazol-2-yl)pyridin-2-yl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC5=C(C=C4)C6=C(C=C5)C7=C(C68C9=CC=CC=C9C1=CC=CC=C81)C=C(C=C7)C1=CC(=CC=C1)N1C(=NC(C1(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations