Geometry & MOs

Info

ID:	250725
PubChem CID:	103098591
Reduced:	BrON4C8H15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	269.99164
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	4.05
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CCN1C(=NC(=N1)N)Br)OC

DOS

IR

Vibrations