Geometry & MOs

Info

ID:	399821
PubChem CID:	135042951
Reduced:	O5C6H12 (1)
Stoich.:	A5B6C12 (1)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-243.58
Dipole, Da:	2.53
IP(EA), eV:	-10.59(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-5-hydroxy-4-oxocyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

C1[C@@H](C(C(C(C1O)O)O)O)O

DOS

IR

Vibrations