Geometry & MOs

Info

ID:	396376
PubChem CID:	135028228
Reduced:	NOF3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	309.155121
ΔH_f, kcal/mol:	-192.91
Dipole, Da:	3.29
IP(EA), eV:	-9.06(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8,10,11,11-tetramethyl-12-phenyl-9-thia-12-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC(CC(F)(F)F)C(=O)N(C)C1=CC=CC=C1

DOS

IR

Vibrations