Geometry & MOs

Info

ID:	295087
PubChem CID:	117516235
Reduced:	BrO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	342.04667
ΔH_f, kcal/mol:	-153.56
Dipole, Da:	4.56
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-3,6-dimethoxyphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1C(CC(=O)O)C3CC3)OCO2)Br

DOS

IR

Vibrations