Geometry & MOs

Info

ID:	292098
PubChem CID:	114451609
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-156.33
Dipole, Da:	4.28
IP(EA), eV:	-9.43(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol

Drug info:

PubChemData

Smile

CC(C)OCC(CC1CNCCC1=O)O

DOS

IR

Vibrations