Geometry & MOs

Info

ID:	45768
PubChem CID:	10517452
Reduced:	O3C7H12 (2)
Stoich.:	A3B7C12 (2)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-273.73
Dipole, Da:	4.75
IP(EA), eV:	-10.34(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butoxymethyl)-5-phenylmethoxypyran-4-one

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(O1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations