Geometry & MOs

Info

ID:	369662
PubChem CID:	127334992
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	398.202799
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	3.18
IP(EA), eV:	-9.32(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3C4CCC3CC(C4)O)C

DOS

IR

Vibrations