Geometry & MOs

Info

ID:	5326
PubChem CID:	12972
Reduced:	O4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-219.42
Dipole, Da:	4.71
IP(EA), eV:	-11.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octylpropanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)O)C(=O)O

DOS

IR

Vibrations