Geometry & MOs

Info

ID:	184645
PubChem CID:	77187034
Reduced:	ClNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	466.07797
ΔH_f, kcal/mol:	-13.07
Dipole, Da:	3.34
IP(EA), eV:	-9.29(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(4-bromophenyl)-3-phenylprop-2-enoxy]-2-methylphenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(NC1CCCC2=CC=CC=C12)Cl

DOS

IR

Vibrations