Geometry & MOs

Info

ID:	250738
PubChem CID:	103098719
Reduced:	BrN5H10C12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	349.9001
ΔH_f, kcal/mol:	99.42
Dipole, Da:	2.95
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)CN3C(=NC(=N3)N)Br)N=C1

DOS

IR

Vibrations