Geometry & MOs

Info

ID:	22607
PubChem CID:	597977
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-192.72
Dipole, Da:	4.61
IP(EA), eV:	-10.82(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxo-5-propan-2-yl-6-oxabicyclo[3.2.1]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C12CCC(C(C1)C(=O)O2)C(=O)O

DOS

IR

Vibrations