Geometry & MOs

Info

ID:	248630
PubChem CID:	103083195
Reduced:	BrClON2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	343.03202
ΔH_f, kcal/mol:	20.26
Dipole, Da:	2.14
IP(EA), eV:	-9.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CCCCl

DOS

IR

Vibrations