Geometry & MOs

Info

ID:	337724
PubChem CID:	127258347
Reduced:	O9C20H28 (1)
Stoich.:	A9B20C28 (1)
Weight, g/mol:	162.052823
ΔH_f, kcal/mol:	-398.86
Dipole, Da:	9.03
IP(EA), eV:	-10.64(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxybutoxy)-2-oxoacetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCC(=O)OCCCCO)CC(=O)O

DOS

IR

Vibrations