Geometry & MOs

Info

ID:	294838
PubChem CID:	117499071
Reduced:	BrNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	313.0062
ΔH_f, kcal/mol:	-100.79
Dipole, Da:	6.81
IP(EA), eV:	-9.21(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC(=O)C1=CC(=C(C2=C1OCCO2)C=O)Br

DOS

IR

Vibrations