Geometry & MOs

Info

ID:	407701
PubChem CID:	135080456
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-139.42
Dipole, Da:	3.34
IP(EA), eV:	-10.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-hydroxy-2-methyl-4-oxocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

COC[C@H]([C@@H]1C2=CC=CC=C2C(=O)O1)O

DOS

IR

Vibrations