Geometry & MOs

Info

ID:	330295
PubChem CID:	127247282
Reduced:	ClFON3C16H17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	322.154209
ΔH_f, kcal/mol:	-45.0
Dipole, Da:	2.95
IP(EA), eV:	-9.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations