Geometry & MOs

Info

ID:

231730

PubChem CID:

87574529

Reduced:

N3O8C68H127 (1)

Stoich.:

A3B8C68D127 (1)

Weight, g/mol:

581.40455

ΔHf, kcal/mol:

-498.45

Dipole, Da:

5.85

IP(EA), eV:

 -8.25(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

triethyl-[2-(pentacosa-10,12-diynoylamino)ethyl]azanium;hydrobromide

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(CCCCCCCCCC)(C(=O)O)C(C1CC(N(C(C1)(C)C)C)(C)C)(C(=O)O)C(C2CC(N(C(C2)(C)C)C)(C)C)(C3CC(N(C(C3)(C)C)C)(C)C)C(=O)O

DOS

IR

Vibrations