Geometry & MOs

Info

ID:	294473
PubChem CID:	117462800
Reduced:	BrFO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	286.00047
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	4.44
IP(EA), eV:	-9.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromo-2-fluoro-3-methylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)C2(CC2)C(=O)O)C)Br

DOS

IR

Vibrations