Geometry & MOs

Info

ID:	295156
PubChem CID:	117518881
Reduced:	BrO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	354.08306
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	3.88
IP(EA), eV:	-8.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-methoxy-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=C(C(=C1CC(C)(C)C(=O)O)OC)Br

DOS

IR

Vibrations