Geometry & MOs

Info

ID:	80783
PubChem CID:	49836695
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-123.04
Dipole, Da:	6.85
IP(EA), eV:	-10.0(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-6-(5-oxo-2H-furan-2-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(=O)CC1C2C=CC(=O)O2)C

DOS

IR

Vibrations