Geometry & MOs

Info

ID:	255757
PubChem CID:	103134565
Reduced:	ClO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	328.03102
ΔH_f, kcal/mol:	-162.53
Dipole, Da:	4.15
IP(EA), eV:	-9.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2Cl)C(=O)O

DOS

IR

Vibrations