Geometry & MOs

Info

ID:	248666
PubChem CID:	103083420
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	34.17
Dipole, Da:	3.65
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CCNCCC1=NC(=NO1)C2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations