Geometry & MOs

Info

ID:	327174
PubChem CID:	126689151
Reduced:	BrFN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	198.036208
ΔH_f, kcal/mol:	-104.5
Dipole, Da:	7.33
IP(EA), eV:	-9.08(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorocyclohexyl) hydrogen sulfate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)F)Br)NC(C)C

DOS

IR

Vibrations