Geometry & MOs

Info

ID:	414049
PubChem CID:	135087002
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-132.77
Dipole, Da:	3.22
IP(EA), eV:	-9.35(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCC1CCCC(C1=O)C2=CC=CC=C2

DOS

IR

Vibrations