Geometry & MOs

Info

ID:	270182
PubChem CID:	103632521
Reduced:	OS2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	309.01129
ΔH_f, kcal/mol:	-10.51
Dipole, Da:	4.66
IP(EA), eV:	-8.48(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=S)N1)CC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations