Geometry & MOs

Info

ID:	264382
PubChem CID:	103458417
Reduced:	FO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	268.203845
ΔH_f, kcal/mol:	-168.36
Dipole, Da:	4.95
IP(EA), eV:	-9.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)pentan-1-one

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)C1=C(C=C(C=C1)OC)F)O

DOS

IR

Vibrations