Geometry & MOs

Info

ID:	340569
PubChem CID:	127262580
Reduced:	ON3H5C9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	223.064303
ΔH_f, kcal/mol:	68.6
Dipole, Da:	3.68
IP(EA), eV:	-9.84(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-pyrazol-4-yl)piperidine;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C=O)C(=NN2)C#N

DOS

IR

Vibrations