Geometry & MOs

Info

ID:	224280
PubChem CID:	85341055
Reduced:	NO5C13H25 (1)
Stoich.:	AB5C13D25 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-249.39
Dipole, Da:	3.85
IP(EA), eV:	-8.79(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-8-[hydroxy(phenyl)methyl]-1,4-dioxaspiro[4.4]nonan-7-one

Drug info:

PubChemData

Smile

CCN(CC)CC(C1C(C2C(O1)OC(O2)(C)C)O)O

DOS

IR

Vibrations