Geometry & MOs

Info

ID:	294107
PubChem CID:	117427188
Reduced:	ClN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	269.056719
ΔH_f, kcal/mol:	-27.06
Dipole, Da:	3.82
IP(EA), eV:	-8.57(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC\1=C(C=C(C(=O)/C1=C\2/NOC(=N2)CN)OC)Cl

DOS

IR

Vibrations