Geometry & MOs

Info

ID:	248653
PubChem CID:	103083324
Reduced:	OBr2N3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	281.01637
ΔH_f, kcal/mol:	71.94
Dipole, Da:	4.39
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations