Geometry & MOs

Info

ID:

47641

PubChem CID:

10534557

Reduced:

Br2N2O4C37H72 (2)

Stoich.:

A2B2C4D37E72 (2)

Weight, g/mol:

1217.098418

ΔHf, kcal/mol:

-351.61

Dipole, Da:

259.03

IP(EA), eV:

 -4.25(-3.97)

Spin(Sz, S2):

 None, None

Charge, e:

 4

Chem-info

IUPAC name:

dodecyl-dimethyl-[2-oxo-2-[[3,5,7-tris[[2-[dodecyl(dimethyl)azaniumyl]acetyl]oxy]-1-adamantyl]oxy]ethyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)CC(=O)OC12CC3(CC(C1)(CC(C2)(C3)OC(=O)C[N+](C)(C)CCCCCCCCCCCC)OC(=O)C[N+](C)(C)CCCCCCCCCCCC)OC(=O)C[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-].[Br-].[Br-]

DOS

IR

Vibrations