Geometry & MOs

Info

ID:	294983
PubChem CID:	117510444
Reduced:	BrO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	328.03102
ΔH_f, kcal/mol:	-140.39
Dipole, Da:	2.48
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(5-bromo-2,3-dimethoxy-4-methylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2(CC2)C(=O)O)Br)C=O)OC

DOS

IR

Vibrations