Geometry & MOs

Info

ID:	215845
PubChem CID:	85085335
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	172.073559
ΔH_f, kcal/mol:	-112.66
Dipole, Da:	6.07
IP(EA), eV:	-9.77(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydroxy-1-methylcyclohex-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1C(OC(=O)N1C)C

DOS

IR

Vibrations