Geometry & MOs

Info

ID:	413320
PubChem CID:	135086268
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	294.102272
ΔH_f, kcal/mol:	-149.45
Dipole, Da:	4.3
IP(EA), eV:	-8.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(4-chlorophenyl)-2-oxocyclohexyl]acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CCC3(CC2=O)OCCO3

DOS

IR

Vibrations