Geometry & MOs

Info

ID:	325070
PubChem CID:	126679979
Reduced:	OF3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	478.152016
ΔH_f, kcal/mol:	-107.14
Dipole, Da:	6.1
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-3-chlorophenyl]-(3-phenoxypiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)COC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations