Geometry & MOs

Info

ID:	382369
PubChem CID:	134973482
Reduced:	BrMgOC2H3 (1)
Stoich.:	ABCD2E3 (1)
Weight, g/mol:	362.136553
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	0.59
IP(EA), eV:	-9.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2S)-1-(2-phenylmethoxyacetyl)oxycyclohex-4-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C=C[O-].[Mg+2].[Br-]

DOS

IR

Vibrations