Geometry & MOs

Info

ID:	248633
PubChem CID:	103083210
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-1.79
Dipole, Da:	5.8
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations