Geometry & MOs

Info

ID:	248739
PubChem CID:	103084035
Reduced:	BrN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	334.03169
ΔH_f, kcal/mol:	-2.22
Dipole, Da:	1.44
IP(EA), eV:	-9.68(-1.06)
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]cyclohexan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations