Geometry & MOs

Info

ID:	228618
PubChem CID:	87565428
Reduced:	O6C9H20 (1)
Stoich.:	A6B9C20 (1)
Weight, g/mol:	400.194462
ΔH_f, kcal/mol:	-287.86
Dipole, Da:	4.98
IP(EA), eV:	-10.19(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxy-3-hydroxybutanedioic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

Drug info:

PubChemData

Smile

CCOC(C)C(=O)O.C(COCCO)O

DOS

IR

Vibrations