Geometry & MOs

Info

ID:	291997
PubChem CID:	114003973
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	327.0041
ΔH_f, kcal/mol:	18.45
Dipole, Da:	1.05
IP(EA), eV:	-8.94(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NOC(=N1)C2=CC(=C(C=C2)Br)N

DOS

IR

Vibrations