Geometry & MOs

Info

ID:	413269
PubChem CID:	135086216
Reduced:	IO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	186.052823
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	1.99
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5R)-5-hydroxycyclohex-3-ene-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)I)OCC2=CC=CC=C2

DOS

IR

Vibrations