Geometry & MOs

Info

ID:	407944
PubChem CID:	135080699
Reduced:	F2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	-203.23
Dipole, Da:	4.05
IP(EA), eV:	-9.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1,3,4-trihydroxyoct-7-en-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2C1)OC(F)F

DOS

IR

Vibrations