Geometry & MOs

Info

ID:	172927
PubChem CID:	75573842
Reduced:	ClOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	295.084458
ΔH_f, kcal/mol:	-31.69
Dipole, Da:	2.66
IP(EA), eV:	-9.08(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-3-methyl-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC(=O)C=CC1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations