Geometry & MOs

Info

ID:	221119
PubChem CID:	85256882
Reduced:	O3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-236.46
Dipole, Da:	2.29
IP(EA), eV:	-9.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-6,7-dihydroxy-8-phenyloxocan-2-one

Drug info:

PubChemData

Smile

CC(=O)OCC1C(COC2=CC=CC=C2O1)OC(=O)C

DOS

IR

Vibrations