Geometry & MOs

Info

ID:	318285
PubChem CID:	126650340
Reduced:	ClF3O3N4H14C19 (1)
Stoich.:	AB3C3D4E14F19 (1)
Weight, g/mol:	372.169859
ΔH_f, kcal/mol:	-179.91
Dipole, Da:	4.36
IP(EA), eV:	-9.33(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]-N-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)C#N)OC(F)(F)F)OCC3=NNC(=O)N3C

DOS

IR

Vibrations