Geometry & MOs

Info

ID:	6336
PubChem CID:	68129
Reduced:	O3H4C5 (1)
Stoich.:	A3B4C5 (1)
Weight, g/mol:	112.016044
ΔH_f, kcal/mol:	-80.05
Dipole, Da:	4.65
IP(EA), eV:	-9.53(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxypyran-4-one

Drug info:

PubChemData

Smile

C1=COC=C(C1=O)O

DOS

IR

Vibrations