Geometry & MOs

Info

ID:	294897
PubChem CID:	117502886
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	315.98657
ΔH_f, kcal/mol:	-234.1
Dipole, Da:	6.47
IP(EA), eV:	-9.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-chlorophenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C2CC(CN2)C(=O)O)F)S(=O)(=O)C

DOS

IR

Vibrations