Geometry & MOs

Info

ID:	294717
PubChem CID:	117484869
Reduced:	BrFO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	300.03611
ΔH_f, kcal/mol:	-114.09
Dipole, Da:	2.61
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-methoxy-4-propan-2-ylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C2(CC2)CC(=O)O)F)Br

DOS

IR

Vibrations