Geometry & MOs

Info

ID:	18146
PubChem CID:	538568
Reduced:	O2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	5.23
IP(EA), eV:	-9.94(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-6-methyl-1,3,3a,4,5,6a-hexahydropentalen-2-one

Drug info:

PubChemData

Smile

CC1(CCC2C1CC(=O)C2)O

DOS

IR

Vibrations