Geometry & MOs

Info

ID:	330261
PubChem CID:	127247248
Reduced:	ON4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	34.29
Dipole, Da:	6.24
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazolo[1,5-a]pyrimidin-3-yl-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations