Geometry & MOs

Info

ID:	208196
PubChem CID:	80503265
Reduced:	BrN2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	209.116427
ΔH_f, kcal/mol:	55.95
Dipole, Da:	2.75
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NC(=CC=C2)N

DOS

IR

Vibrations