Geometry & MOs

Info

ID:	208902
PubChem CID:	80601248
Reduced:	NS2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	326.06816
ΔH_f, kcal/mol:	-2.83
Dipole, Da:	3.26
IP(EA), eV:	-8.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)-1-cyclooctylethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2CCCCS2

DOS

IR

Vibrations