Geometry & MOs

Info

ID:

190858

PubChem CID:

78069814

Reduced:

NPO7C36H69 (1)

Stoich.:

ABC7D36E69 (1)

Weight, g/mol:

436.176699

ΔHf, kcal/mol:

-380.55

Dipole, Da:

3.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.754414

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CC

DOS

IR

Vibrations