Geometry & MOs

Info

ID:	413322
PubChem CID:	135086270
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-136.54
Dipole, Da:	2.86
IP(EA), eV:	-9.09(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(2-methylphenyl)-2-oxocyclohexyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCCC(C1=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations