Geometry & MOs

Info

ID:	398986
PubChem CID:	135036784
Reduced:	O3C5H8 (2)
Stoich.:	A3B5C8 (2)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-294.68
Dipole, Da:	2.26
IP(EA), eV:	-10.87(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-diazonio-4-ethoxy-4-oxo-1-(3-oxocyclohexyl)but-2-en-2-olate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations