Geometry & MOs

Info

ID:	83786
PubChem CID:	49861355
Reduced:	ClON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	38.45
Dipole, Da:	3.42
IP(EA), eV:	-9.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-3-(3-methylphenyl)pyrazol-4-yl]piperidine;hydrochloride

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(N(N=C2)O)C3=CC=CC(=C3)C4=CC=CC=C4.Cl

DOS

IR

Vibrations