Geometry & MOs

Info

ID:	48984
PubChem CID:	11528580
Reduced:	SN2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	208.10342
ΔH_f, kcal/mol:	24.88
Dipole, Da:	1.28
IP(EA), eV:	-8.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4a,5,6,7,8,8a,9-octahydrobenzo[f][1,3]benzothiazol-2-amine

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C2=CN=C(C=C2)SC

DOS

IR

Vibrations