Geometry & MOs

Info

ID:	73523
PubChem CID:	48418042
Reduced:	OSN6C21H22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	378.12628
ΔH_f, kcal/mol:	54.94
Dipole, Da:	6.76
IP(EA), eV:	-8.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)C(=O)NC3CCN(CC3)C4=NC5=CC=CC=C5S4)C

DOS

IR

Vibrations