Geometry & MOs

Info

ID:	250711
PubChem CID:	103098505
Reduced:	SBr2N4H6C7 (1)
Stoich.:	AB2C4D6E7 (1)
Weight, g/mol:	303.95266
ΔH_f, kcal/mol:	81.46
Dipole, Da:	2.02
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(SC=C1Br)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations