Geometry & MOs

Info

ID:	159979
PubChem CID:	57304266
Reduced:	OC12H14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	445.193632
ΔH_f, kcal/mol:	-11.86
Dipole, Da:	3.85
IP(EA), eV:	-9.72(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)CC2CC2

DOS

IR

Vibrations