Geometry & MOs

Info

ID:	324028
PubChem CID:	126676784
Reduced:	F3N7C17H18 (1)
Stoich.:	A3B7C17D18 (1)
Weight, g/mol:	340.212393
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	8.65
IP(EA), eV:	-8.39(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(3-piperidin-4-ylpropyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C(=N2)C(F)(F)F)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations