Geometry & MOs

Info

ID:	372038
PubChem CID:	131288679
Reduced:	FO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	346.99055
ΔH_f, kcal/mol:	-197.84
Dipole, Da:	2.4
IP(EA), eV:	-9.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C=C1)O)F)O

DOS

IR

Vibrations