Geometry & MOs

Info

ID:	254411
PubChem CID:	103125077
Reduced:	BrFON3H9C14 (1)
Stoich.:	ABCD3E9F14 (1)
Weight, g/mol:	346.0117
ΔH_f, kcal/mol:	20.56
Dipole, Da:	3.23
IP(EA), eV:	-9.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)Br)CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations