Geometry & MOs

Info

ID:	22419
PubChem CID:	597176
Reduced:	O2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-195.99
Dipole, Da:	3.82
IP(EA), eV:	-10.56(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,8,8-trimethyl-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations