Geometry & MOs

Info

ID:	19845
PubChem CID:	574046
Reduced:	C7N8H12 (1)
Stoich.:	A7B8C12 (1)
Weight, g/mol:	208.118492
ΔH_f, kcal/mol:	86.33
Dipole, Da:	4.87
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(3-amino-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C(CC1=NC(=NN1)N)CC2=NC(=NN2)N

DOS

IR

Vibrations