Geometry & MOs

Info

ID:	248636
PubChem CID:	103083226
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	28.35
Dipole, Da:	4.09
IP(EA), eV:	-9.59(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-2-methylphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C3(CCCC3)CN

DOS

IR

Vibrations