Geometry & MOs

Info

ID:	318156
PubChem CID:	126649108
Reduced:	BrFNOH3C9 (1)
Stoich.:	ABCDE3F9 (1)
Weight, g/mol:	285.086189
ΔH_f, kcal/mol:	0.74
Dipole, Da:	2.52
IP(EA), eV:	-9.93(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]benzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(O2)F)Br)C#N

DOS

IR

Vibrations