Geometry & MOs

Info

ID:	318014
PubChem CID:	126648358
Reduced:	NSF3O4H8C12 (1)
Stoich.:	ABC3D4E8F12 (1)
Weight, g/mol:	345.134049
ΔH_f, kcal/mol:	-252.91
Dipole, Da:	4.27
IP(EA), eV:	-9.65(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[6-(trifluoromethyl)pyridin-3-yl]-4-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=NC2=CC=CC=C2C(=C1)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations