Geometry & MOs

Info

ID:	146756
PubChem CID:	53745234
Reduced:	ON2C3H6 (2)
Stoich.:	AB2C3D6 (2)
Weight, g/mol:	407.141596
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	2.78
IP(EA), eV:	-9.7(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyanophenyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC(N1)C(=O)N)C(=O)N

DOS

IR

Vibrations