Geometry & MOs

Info

ID:	330296
PubChem CID:	127247283
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	69.92
Dipole, Da:	4.78
IP(EA), eV:	-9.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-pyrazol-5-yl)piperidin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC(=NN3)C4=CN=CC=C4

DOS

IR

Vibrations