Geometry & MOs

Info

ID:	405866
PubChem CID:	135075745
Reduced:	P2C5O9H12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-450.45
Dipole, Da:	4.02
IP(EA), eV:	-10.32(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2,2-dimethyl-6-propylpyran-3-one

Drug info:

PubChemData

Smile

C/C(=C\COP(=O)(O)OOP(=O)(O)O)/CO

DOS

IR

Vibrations