Geometry & MOs

Info

ID:	262626
PubChem CID:	103304033
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	288.089263
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	6.79
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-2-(2,4,5-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCNC1=C(N=CC=C1)S(=O)(=O)NCCN2CCOCC2

DOS

IR

Vibrations