Geometry & MOs

Info

ID:	294472
PubChem CID:	117462790
Reduced:	BrN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	286.00047
ΔH_f, kcal/mol:	-10.91
Dipole, Da:	3.25
IP(EA), eV:	-9.76(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1(CN)C2=CC(=C(C(=C2)Br)O)[N+](=O)[O-]

DOS

IR

Vibrations