Geometry & MOs

Info

ID:	141912
PubChem CID:	52951291
Reduced:	O4C7H10 (1)
Stoich.:	A4B7C10 (1)
Weight, g/mol:	160.073559
ΔH_f, kcal/mol:	-125.86
Dipole, Da:	3.13
IP(EA), eV:	-9.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R,5S)-2,4-dihydroxy-5-methoxycyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=C[C@H]([C@@H]2[C@H]([C@H]1O)O2)O

DOS

IR

Vibrations