Geometry & MOs

Info

ID:	294952
PubChem CID:	117509055
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	4.89
IP(EA), eV:	-9.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)CCC(=O)O)C2CCCC2

DOS

IR

Vibrations