Geometry & MOs

Info

ID:	318132
PubChem CID:	126649067
Reduced:	N2F3H5C10 (1)
Stoich.:	A2B3C5D10 (1)
Weight, g/mol:	351.088688
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	4.4
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3-(4-chlorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CN2C(F)(F)F)C#N

DOS

IR

Vibrations