Geometry & MOs

Info

ID:	250742
PubChem CID:	103098740
Reduced:	BrN6C12H17 (1)
Stoich.:	AB6C12D17 (1)
Weight, g/mol:	285.03376
ΔH_f, kcal/mol:	59.49
Dipole, Da:	5.29
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C=CC(=N2)CN3C(=NC(=N3)N)Br

DOS

IR

Vibrations