Geometry & MOs

Info

ID:	2855
PubChem CID:	8742
Reduced:	O5C7H10 (1)
Stoich.:	A5B7C10 (1)
Weight, g/mol:	174.052823
ΔH_f, kcal/mol:	-212.44
Dipole, Da:	3.93
IP(EA), eV:	-10.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O

DOS

IR

Vibrations