Geometry & MOs

Info

ID:	228834
PubChem CID:	87565904
Reduced:	O9C14H26 (1)
Stoich.:	A9B14C26 (1)
Weight, g/mol:	366.261754
ΔH_f, kcal/mol:	-439.22
Dipole, Da:	5.87
IP(EA), eV:	-10.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(CC(=O)O)(CC(=O)O)C(=O)O.C(CCO)CO

DOS

IR

Vibrations