Geometry & MOs

Info

ID:	294106
PubChem CID:	117427180
Reduced:	ClN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	269.056719
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	3.99
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]-4-chloro-2-methoxy-5-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C2=NOC(=N2)CN)Cl

DOS

IR

Vibrations