Geometry & MOs

Info

ID:	293126
PubChem CID:	117374300
Reduced:	ON4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	1.98
IP(EA), eV:	-8.59(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2-propan-2-yl-1,3-benzothiazol-6-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1CC(CC1C2=CC(=CC=C2)NC(=O)N)CN

DOS

IR

Vibrations