Geometry & MOs

Info

ID:	250708
PubChem CID:	103098463
Reduced:	BrON5C9H10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	292.00721
ΔH_f, kcal/mol:	41.35
Dipole, Da:	3.34
IP(EA), eV:	-8.9(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations