Geometry & MOs

Info

ID:	401054
PubChem CID:	135049937
Reduced:	OC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	308.087158
ΔH_f, kcal/mol:	-48.45
Dipole, Da:	2.72
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-oxo-3-(trifluoromethyl)cyclohex-3-ene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)CC(=O)C)CC2=CC=CC=C2

DOS

IR

Vibrations