Geometry & MOs

Info

ID:	250723
PubChem CID:	103098584
Reduced:	BrFON4H10C11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	287.98222
ΔH_f, kcal/mol:	-13.06
Dipole, Da:	2.92
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC2=C1C=C(C=C2)F)CN3C(=NC(=N3)N)Br

DOS

IR

Vibrations