Geometry & MOs

Info

ID:	4927
PubChem CID:	12292
Reduced:	O4C7H12 (1)
Stoich.:	A4B7C12 (1)
Weight, g/mol:	160.073559
ΔH_f, kcal/mol:	-198.84
Dipole, Da:	2.47
IP(EA), eV:	-11.0(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylhexanedioic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)CC(=O)O

DOS

IR

Vibrations