Geometry & MOs

Info

ID:	228956
PubChem CID:	87566397
Reduced:	O5C10H22 (1)
Stoich.:	A5B10C22 (1)
Weight, g/mol:	324.214803
ΔH_f, kcal/mol:	-256.74
Dipole, Da:	6.2
IP(EA), eV:	-10.52(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations