Geometry & MOs

Info

ID:	288071
PubChem CID:	104310396
Reduced:	BrO2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	322.04292
ΔH_f, kcal/mol:	29.08
Dipole, Da:	5.15
IP(EA), eV:	-9.98(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1COCC1(C2=NC(=NO2)C3=NC=C(C=C3)Br)N

DOS

IR

Vibrations