Geometry & MOs

Info

ID:	250275
PubChem CID:	103095287
Reduced:	BrSN2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	257.083413
ΔH_f, kcal/mol:	62.77
Dipole, Da:	3.85
IP(EA), eV:	-8.95(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-nitro-1,3-thiazol-2-yl)piperidin-4-yl]ethanol

Drug info:

PubChemData

Smile

C1=CN=CC=C1NCCC2=CC=C(S2)Br

DOS

IR

Vibrations