Geometry & MOs

Info

ID:	83726
PubChem CID:	49860686
Reduced:	ClN2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	350.121962
ΔH_f, kcal/mol:	23.84
Dipole, Da:	1.29
IP(EA), eV:	-8.99(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclohexyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCCC1=NC(C2=CC=CC=C2CN1C)C3=CC=CC=C3.Cl

DOS

IR

Vibrations