Geometry & MOs

Info

ID:	17465
PubChem CID:	500000
Reduced:	H3C5N7 (1)
Stoich.:	A3B5C7 (1)
Weight, g/mol:	161.044993
ΔH_f, kcal/mol:	182.18
Dipole, Da:	3.78
IP(EA), eV:	-10.26(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-diazoimidazol-4-yl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

C1=NC(=[N+]=[N-])C(=N1)C2=NC=NN2

DOS

IR

Vibrations