Geometry & MOs

Info

ID:	298555
PubChem CID:	117651058
Reduced:	NO6C12H19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-208.36
Dipole, Da:	3.24
IP(EA), eV:	-10.02(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-4-(1-hydroxyethyl)heptane-2,6-dione

Drug info:

PubChemData

Smile

C=C(C#N)C(=O)OCCOCCOCCOCCO

DOS

IR

Vibrations