Geometry & MOs

Info

ID:	413318
PubChem CID:	135086266
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	2.83
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methylphenyl)-1,4-dioxaspiro[4.5]decan-7-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations