Geometry & MOs

Info

ID:	12870
PubChem CID:	147389
Reduced:	O4C7H12 (1)
Stoich.:	A4B7C12 (1)
Weight, g/mol:	160.073559
ΔH_f, kcal/mol:	-198.16
Dipole, Da:	3.47
IP(EA), eV:	-10.6(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S,4R)-3,4-dihydroxycyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H]([C@H](C[C@H]1C(=O)O)O)O

DOS

IR

Vibrations