Geometry & MOs

Info

ID:	296902
PubChem CID:	117600167
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-131.18
Dipole, Da:	1.64
IP(EA), eV:	-8.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,5-trimethyl-3-oxohexanoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1(C(O1)C2=CC=C(C=C2)OC)C

DOS

IR

Vibrations