Geometry & MOs

Info

ID:	229478
PubChem CID:	87567802
Reduced:	O5C9H17 (2)
Stoich.:	A5B9C17 (2)
Weight, g/mol:	266.172939
ΔH_f, kcal/mol:	-486.52
Dipole, Da:	5.67
IP(EA), eV:	-9.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxybutoxy)butan-1-ol;2-methoxypropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations