Geometry & MOs

Info

ID:	330414
PubChem CID:	127247401
Reduced:	N4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	73.94
Dipole, Da:	3.56
IP(EA), eV:	-8.48(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC3=C(C=C2)C=CN3)C4=CC=NN4

DOS

IR

Vibrations