Geometry & MOs

Info

ID:	21759
PubChem CID:	589791
Reduced:	BrH3C4N6 (1)
Stoich.:	AB3C4D6 (1)
Weight, g/mol:	213.96026
ΔH_f, kcal/mol:	146.51
Dipole, Da:	3.93
IP(EA), eV:	-9.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-bromopyrazol-1-yl)-2H-tetrazole

Drug info:

PubChemData

Smile

C1=C(C=NN1C2=NNN=N2)Br

DOS

IR

Vibrations