Geometry & MOs

Info

ID:	48974
PubChem CID:	11528543
Reduced:	NaC6O6H11 (1)
Stoich.:	AB6C6D11 (1)
Weight, g/mol:	202.135765
ΔH_f, kcal/mol:	-321.45
Dipole, Da:	7.96
IP(EA), eV:	-9.93(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-tetradec-8-en-11,13-diyn-2-one

Drug info:

PubChemData

Smile

C([C@@H]([C@@H](CO)O)O)[C@@H](C(=O)[O-])O.[Na+]

DOS

IR

Vibrations