Geometry & MOs

Info

ID:	389218
PubChem CID:	134991635
Reduced:	NCl3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	228.099774
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	3.82
IP(EA), eV:	-10.21(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2R,3S)-3-methoxycyclohex-4-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CCC=C[C@@H]1NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations