Geometry & MOs

Info

ID:	391611
PubChem CID:	135007180
Reduced:	O6C13H20 (1)
Stoich.:	A6B13C20 (1)
Weight, g/mol:	324.133753
ΔH_f, kcal/mol:	-260.47
Dipole, Da:	4.84
IP(EA), eV:	-10.04(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[(1R,6R)-6-formyl-6-(2-phenylmethoxyethyl)cyclohex-2-en-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)C(=C)C([C@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC)O

DOS

IR

Vibrations