Geometry & MOs

Info

ID:

442121

PubChem CID:

135249933

Reduced:

N4H52C53 (1)

Stoich.:

A4B52C53 (1)

Weight, g/mol:

664.283826

ΔHf, kcal/mol:

136.41

Dipole, Da:

1.63

IP(EA), eV:

 -8.52(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]pyridin-2-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=NC(C(N1C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)C9=CC=C(C=C9)N1C(=NC(C1(C)C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations