Geometry & MOs

Info

ID:	380945
PubChem CID:	134971553
Reduced:	BO2C20H37 (1)
Stoich.:	AB2C20D37 (1)
Weight, g/mol:	230.091889
ΔH_f, kcal/mol:	-164.84
Dipole, Da:	0.94
IP(EA), eV:	-9.22(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(1S,6R)-6-(3-methylbut-3-enoyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)CCCC3(OCCO3)CCCCCC

DOS

IR

Vibrations