Geometry & MOs

Info

ID:	442137
PubChem CID:	135250045
Reduced:	ON4H24C26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	712.308979
ΔH_f, kcal/mol:	97.81
Dipole, Da:	3.74
IP(EA), eV:	-8.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C2=CC=CN3C2=C(C=N3)C4=CC(=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations