Geometry & MOs

Info

ID:	200649
PubChem CID:	79421812
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	336.01612
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	1.46
IP(EA), eV:	-8.85(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-fluorophenyl)-2-(2-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC2=CC=CO2)CNCCOC

DOS

IR

Vibrations