Geometry & MOs

Info

ID:	205056
PubChem CID:	80049081
Reduced:	BrO2N4C9H11 (1)
Stoich.:	AB2C4D9E11 (1)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-11.42
Dipole, Da:	2.52
IP(EA), eV:	-9.16(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC2=NC(=NN2C=C1Br)NC(CO)CO

DOS

IR

Vibrations