Geometry & MOs

Info

ID:	151314
PubChem CID:	53801051
Reduced:	Cl2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	-123.32
Dipole, Da:	2.81
IP(EA), eV:	-9.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,6-dimethoxyphenyl)prop-2-enoyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

COCCCC(=O)OC1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations