Geometry & MOs

Info

ID:	294954
PubChem CID:	117509098
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	-129.82
Dipole, Da:	3.72
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-bromo-2-(cyclobutylmethoxy)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)C)C2(CCCCC2)C(=O)O)Br

DOS

IR

Vibrations