Geometry & MOs

Info

ID:	199802
PubChem CID:	79297916
Reduced:	O3C17H32 (1)
Stoich.:	A3B17C32 (1)
Weight, g/mol:	282.219495
ΔH_f, kcal/mol:	-196.62
Dipole, Da:	1.83
IP(EA), eV:	-9.88(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-2-ethyl-1-oxaspiro[2.6]nonane-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC(CC1)C(CC)(C(=O)OCC)O

DOS

IR

Vibrations