Geometry & MOs

Info

ID:	319259
PubChem CID:	126655449
Reduced:	FO4N7C29H30 (1)
Stoich.:	AB4C7D29E30 (1)
Weight, g/mol:	409.215413
ΔH_f, kcal/mol:	-109.04
Dipole, Da:	3.02
IP(EA), eV:	-8.74(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-tritylpyrazol-3-yl)piperidin-3-ol

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCCN(C1)C2=NN(C=C2)C3=CC(=NC4=C3C(=O)N(C4)C(=O)OC(C)(C)C)C5=C(C=CC=C5F)C#N

DOS

IR

Vibrations