Geometry & MOs

Info

ID:	45410
PubChem CID:	10512889
Reduced:	O3H12C13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-72.26
Dipole, Da:	4.33
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-oxaspiro[4.4]nonan-3-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC3=C2CCCC3=O

DOS

IR

Vibrations