Geometry & MOs

Info

ID:	215886
PubChem CID:	85085387
Reduced:	O4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-144.31
Dipole, Da:	1.65
IP(EA), eV:	-10.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2,3,3-trimethylcyclohexene-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C=CC1CC1C(=O)OC

DOS

IR

Vibrations