Geometry & MOs

Info

ID:	414048
PubChem CID:	135087001
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-121.63
Dipole, Da:	3.65
IP(EA), eV:	-9.28(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-oxo-3-phenylcyclohexyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCC3(CC2=O)OCCO3

DOS

IR

Vibrations