Geometry & MOs

Info

ID:	250771
PubChem CID:	103098961
Reduced:	BrO2N5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	280.9773
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	3.6
IP(EA), eV:	-9.18(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(tetrazolo[1,5-a]pyrazin-5-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations