Geometry & MOs

Info

ID:	294951
PubChem CID:	117509031
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	-41.43
Dipole, Da:	1.59
IP(EA), eV:	-8.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-cyclopentyl-4-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1Br)C)OC)OC)C2=CC(=NO2)N

DOS

IR

Vibrations