Geometry & MOs

Info

ID:	248646
PubChem CID:	103083292
Reduced:	BrSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	347.03817
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	6.91
IP(EA), eV:	-9.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations