Geometry & MOs

Info

ID:	385912
PubChem CID:	134980305
Reduced:	NOC10H16 (2)
Stoich.:	ABC10D16 (2)
Weight, g/mol:	292.092283
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	3.44
IP(EA), eV:	-8.76(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[(1R,6R)-6-(acetyloxymethyl)-6-methoxycarbonylcyclohex-2-en-1-yl]acetate

Drug info:

PubChemData

Smile

CCCCC[C@]1(CC=CC([C@@]1(C#N)C(=O)OCC)N2CCCC2)C

DOS

IR

Vibrations