Geometry & MOs

Info

ID:	295153
PubChem CID:	117518793
Reduced:	BrO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	354.04667
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	4.24
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2-cyclopentyloxy-3-methoxyphenyl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C2(CCC2)C(=O)O)OCC3CC3

DOS

IR

Vibrations