Geometry & MOs

Info

ID:	22418
PubChem CID:	597175
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-194.89
Dipole, Da:	3.13
IP(EA), eV:	-10.8(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8,8-trimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2C(CCC1(OC2=O)C)C(=O)O)C

DOS

IR

Vibrations