Geometry & MOs

Info

ID:	369652
PubChem CID:	127334982
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	384.111934
ΔH_f, kcal/mol:	74.99
Dipole, Da:	3.18
IP(EA), eV:	-9.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=NC=CC(=C3)N4C=CC=N4)O

DOS

IR

Vibrations