Geometry & MOs

Info

ID:	215834
PubChem CID:	85085320
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	2.06
IP(EA), eV:	-9.8(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxaspiro[4.6]undecan-7-one

Drug info:

PubChemData

Smile

CCC12C(=C)CC(C(O1)CO2)C

DOS

IR

Vibrations