Geometry & MOs

Info

ID:	294716
PubChem CID:	117484854
Reduced:	BrN2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	300.01612
ΔH_f, kcal/mol:	-100.66
Dipole, Da:	3.76
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromo-2-fluoro-5,6-dimethylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1C(=O)CNC)Br)O

DOS

IR

Vibrations