Geometry & MOs

Info

ID:	294834
PubChem CID:	117499052
Reduced:	BrFO2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	312.98622
ΔH_f, kcal/mol:	-46.41
Dipole, Da:	5.45
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-6-fluoro-1,3-benzodioxol-5-yl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2Br)F)C3=C(NN=C3)N

DOS

IR

Vibrations