Geometry & MOs

Info

ID:	20875
PubChem CID:	586256
Reduced:	O3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	256.094688
ΔH_f, kcal/mol:	-260.75
Dipole, Da:	3.01
IP(EA), eV:	-10.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(methoxycarbonyl)cyclohex-2-en-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC(C=C(C1)C(=O)OC)CC(=O)O

DOS

IR

Vibrations