Geometry & MOs

Info

ID:

327360

PubChem CID:

126689679

Reduced:

NaPC3O5H7 (1)

Stoich.:

ABC3D5E7 (1)

Weight, g/mol:

357.287909

ΔHf, kcal/mol:

-266.32

Dipole, Da:

9.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755892

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylazaniumyl)-6-dodecoxy-6-oxohexanoate

Drug info:

PubChemData

Smile

C1C(O1)COP(=O)(O)O.[Na]

DOS

IR

Vibrations