Geometry & MOs

Info

ID:	376533
PubChem CID:	134222551
Reduced:	SO7C13H22 (1)
Stoich.:	AB7C13D22 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-336.3
Dipole, Da:	4.6
IP(EA), eV:	-10.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-formyloxycyclohexyl)methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CC(C1)OC2CC(CC(C2)S(=O)(=O)O)C(=O)O)O

DOS

IR

Vibrations