Geometry & MOs

Info

ID:	288380
PubChem CID:	104316002
Reduced:	BrO2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	35.89
Dipole, Da:	1.99
IP(EA), eV:	-9.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC2=NC(=NO2)C3=C(C=CC=N3)Br)O

DOS

IR

Vibrations