Geometry & MOs

Info

ID:	414047
PubChem CID:	135087000
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-144.13
Dipole, Da:	3.66
IP(EA), eV:	-9.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-7-one

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CCCC(=O)C1=CC=CC=C1OC

DOS

IR

Vibrations