Geometry & MOs

Info

ID:	292105
PubChem CID:	114451957
Reduced:	BrNOSC10H14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-33.43
Dipole, Da:	2.36
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-hydroxy-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CNCC(C1O)CC2=C(C=CS2)Br

DOS

IR

Vibrations