Geometry & MOs

Info

ID:	279948
PubChem CID:	103845864
Reduced:	ClNO2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	2.81
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexanoylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C(CNC1CCCCC1)Cl

DOS

IR

Vibrations