Geometry & MOs

Info

ID:	73522
PubChem CID:	48418040
Reduced:	OSN5C23H25 (1)
Stoich.:	ABC5D23E25 (1)
Weight, g/mol:	406.157581
ΔH_f, kcal/mol:	30.98
Dipole, Da:	2.57
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CCCC2=NC3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations