Geometry & MOs

Info

ID:	45564
PubChem CID:	10514979
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	4.24
IP(EA), eV:	-9.37(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,4R,6R,8S)-2,6-dimethyl-5-oxo-8-propan-2-ylbicyclo[2.2.2]octane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCCCC(CO)CO

DOS

IR

Vibrations