Geometry & MOs

Info

ID:	201337
PubChem CID:	79526362
Reduced:	ClSN3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	280.080097
ΔH_f, kcal/mol:	66.85
Dipole, Da:	2.93
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-chloro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=N2)NCCC3=CC=NC=C3

DOS

IR

Vibrations