Geometry & MOs

Info

ID:	430674
PubChem CID:	135170740
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	2.67
IP(EA), eV:	-9.85(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylcyclohexyl)oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(=O)OC1C=C(C(=O)N1C)C

DOS

IR

Vibrations