Geometry & MOs

Info

ID:	44124
PubChem CID:	10500880
Reduced:	FOCl2N2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	-65.11
Dipole, Da:	5.58
IP(EA), eV:	-9.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNCC2=CC(=CC=C2)F)C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations