Geometry & MOs

Info

ID:	399197
PubChem CID:	135038623
Reduced:	C13H20 (1)
Stoich.:	A13B20 (1)
Weight, g/mol:	244.131074
ΔH_f, kcal/mol:	9.39
Dipole, Da:	0.65
IP(EA), eV:	-8.88(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methyl-5-oxohexyl)-1,3-dioxolan-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(=C1)C#CC

DOS

IR

Vibrations