Geometry & MOs

Info

ID:

230297

PubChem CID:

87570610

Reduced:

O3C10H12 (4)

Stoich.:

A3B10C12 (4)

Weight, g/mol:

720.314577

ΔHf, kcal/mol:

-267.4

Dipole, Da:

5.62

IP(EA), eV:

 -8.68(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-[2,3,6-tris(oxiran-2-ylmethoxy)phenyl]-2-adamantyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)C4=C(C=C(C=C4OCC5CO5)OCC6CO6)OCC7CO7)C8=C(C=C(C=C8OCC9CO9)OCC1CO1)OCC1CO1

DOS

IR

Vibrations