Geometry & MOs

Info

ID:	83688
PubChem CID:	49860106
Reduced:	BrN2O6C24H27 (1)
Stoich.:	AB2C6D24E27 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	-224.1
Dipole, Da:	7.01
IP(EA), eV:	-8.47(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxy-5-phenylpyrazol-4-yl)piperidine;hydrobromide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H](C(O1)[N+]2=CC3=C(C4=C(C(=C3C=C2)C)NC5=C4C=C(C=C5)O)C)O)O.CC(=O)[O-].Br

DOS

IR

Vibrations