Geometry & MOs

Info

ID:	167154
PubChem CID:	74788278
Reduced:	ClON3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	295.213401
ΔH_f, kcal/mol:	30.03
Dipole, Da:	4.52
IP(EA), eV:	-9.9(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 4-[2-(4-amino-1H-pyrazol-2-ium-2-yl)ethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C=C(C2=C1N=CC(=C2)Cl)C#N

DOS

IR

Vibrations