Geometry & MOs

Info

ID:	294913
PubChem CID:	117505029
Reduced:	BrN2O3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	320.00595
ΔH_f, kcal/mol:	-13.0
Dipole, Da:	9.49
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C=CC=C21)C3=CC(=NO3)C(=O)O)Br

DOS

IR

Vibrations