Geometry & MOs

Info

ID:	337095
PubChem CID:	127256660
Reduced:	O3C19H32 (1)
Stoich.:	A3B19C32 (1)
Weight, g/mol:	256.050237
ΔH_f, kcal/mol:	-163.78
Dipole, Da:	1.84
IP(EA), eV:	-8.74(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-oxocyclohexyl) 2H-pyran-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(CCCC)COC(=O)CCC1C=CC=CO1

DOS

IR

Vibrations