Geometry & MOs

Info

ID:	388047
PubChem CID:	134987959
Reduced:	O2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-146.49
Dipole, Da:	2.19
IP(EA), eV:	-10.5(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2-bicyclo[2.2.2]oct-5-enyl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCC(C)(CC(=O)OCC)C(C)(C)C

DOS

IR

Vibrations