Geometry & MOs

Info

ID:	412071
PubChem CID:	135084934
Reduced:	PdBr2N6C15H28 (1)
Stoich.:	AB2C6D15E28 (1)
Weight, g/mol:	294.253195
ΔH_f, kcal/mol:	117.87
Dipole, Da:	17.79
IP(EA), eV:	-5.01(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-[3-(2-butyl-3H-1,2,4-triazol-4-yl)propyl]-3H-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCCN1[CH-]N(C=N1)CCCN2[CH-]N(N=C2)CCCC.Br[Pd]Br

DOS

IR

Vibrations