Geometry & MOs

Info

ID:	250735
PubChem CID:	103098700
Reduced:	BrN4C7H11 (1)
Stoich.:	AB4C7D11 (1)
Weight, g/mol:	299.04941
ΔH_f, kcal/mol:	54.83
Dipole, Da:	3.38
IP(EA), eV:	-8.94(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1CC1CCN2C(=NC(=N2)N)Br

DOS

IR

Vibrations