Geometry & MOs

Info

ID:	408442
PubChem CID:	135081208
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	174.089209
ΔH_f, kcal/mol:	-93.03
Dipole, Da:	1.51
IP(EA), eV:	-9.93(2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@]12CCCC[C@@]1(O2)C)O

DOS

IR

Vibrations