Geometry & MOs

Info

ID:	337793
PubChem CID:	127258416
Reduced:	O4C29H48 (1)
Stoich.:	A4B29C48 (1)
Weight, g/mol:	298.178024
ΔH_f, kcal/mol:	-247.12
Dipole, Da:	0.85
IP(EA), eV:	-9.67(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,2R)-3-cyclohexyl-2-hydroxycyclohexyl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations