Geometry & MOs

Info

ID:	216252
PubChem CID:	85085952
Reduced:	O5C12H22 (1)
Stoich.:	A5B12C22 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	-263.74
Dipole, Da:	3.51
IP(EA), eV:	-10.07(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 3-hydroxy-2-propylpentanedioate

Drug info:

PubChemData

Smile

CC(=O)OCCC1CC(OC(O1)(C)C)CCO

DOS

IR

Vibrations