Geometry & MOs

Info

ID:	83785
PubChem CID:	49861350
Reduced:	ClFON2C13H18 (2)
Stoich.:	ABCD2E13F18 (2)
Weight, g/mol:	355.14514
ΔH_f, kcal/mol:	-225.54
Dipole, Da:	5.6
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-5-(3-phenylphenyl)pyrazol-4-yl]piperidine;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](C1(C2=CN=CN=C2)O)C)C(=O)[C@@H]3CN(C[C@H]3C4=C(C=C(C=C4)F)F)C(C)(C)C.Cl.Cl

DOS

IR

Vibrations