Geometry & MOs

Info

ID:	295106
PubChem CID:	117517540
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	346.96723
ΔH_f, kcal/mol:	-103.68
Dipole, Da:	6.63
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-bromo-6-chloro-2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C(C(=CC=C2)OC)OC3CCCSC3

DOS

IR

Vibrations