Geometry & MOs

Info

ID:	294933
PubChem CID:	117506117
Reduced:	BrN2O2F3H6C10 (1)
Stoich.:	AB2C2D3E6F10 (1)
Weight, g/mol:	321.98163
ΔH_f, kcal/mol:	-159.62
Dipole, Da:	5.22
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2,4,6-trifluorophenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C2=C(ON=C2)N)O)Br)C(F)(F)F

DOS

IR

Vibrations