Geometry & MOs

Info

ID:	294105
PubChem CID:	117427167
Reduced:	ClNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	269.056719
ΔH_f, kcal/mol:	-128.46
Dipole, Da:	6.31
IP(EA), eV:	-8.84(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)Cl)C(=O)C(=O)O

DOS

IR

Vibrations