Geometry & MOs

Info

ID:	294108
PubChem CID:	117427193
Reduced:	ClN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	269.056719
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	5.77
IP(EA), eV:	-8.28(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chloro-2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations