Geometry & MOs

Info

ID:	228778
PubChem CID:	87565762
Reduced:	O9C12H22 (1)
Stoich.:	A9B12C22 (1)
Weight, g/mol:	424.267233
ΔH_f, kcal/mol:	-428.96
Dipole, Da:	5.37
IP(EA), eV:	-10.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol

Drug info:

PubChemData

Smile

CCCOC(C(CC(=O)O)C(=O)O)C(=O)O.CC(CO)O

DOS

IR

Vibrations