Geometry & MOs

Info

ID:	250739
PubChem CID:	103098723
Reduced:	FBr2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	225.96657
ΔH_f, kcal/mol:	28.7
Dipole, Da:	2.53
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(2,2-difluoroethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)F)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations