Geometry & MOs

Info

ID:	259338
PubChem CID:	103164304
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	288.16602
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	1.87
IP(EA), eV:	-9.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(CC2=NC3=CC=CC=C3O2)NC

DOS

IR

Vibrations