Geometry & MOs

Info

ID:	294986
PubChem CID:	117510730
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	328.06741
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	2.92
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=C3C(=CC(=C2O)Br)OCCO3

DOS

IR

Vibrations