Geometry & MOs

Info

ID:	431289
PubChem CID:	135171360
Reduced:	SBr2O2N4C13H14 (1)
Stoich.:	AB2C2D4E13F14 (1)
Weight, g/mol:	123.079647
ΔH_f, kcal/mol:	-12.38
Dipole, Da:	7.2
IP(EA), eV:	-9.09(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,8a-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C1C[C@H]2COC[C@@H]1N2C3=NC(=CS3)N4C(=NC(=C4Br)Br)CO

DOS

IR

Vibrations