Geometry & MOs

Info

ID:	297241
PubChem CID:	117613885
Reduced:	SN3O5F8H19C29 (1)
Stoich.:	AB3C5D8E19F29 (1)
Weight, g/mol:	150.104465
ΔH_f, kcal/mol:	-457.87
Dipole, Da:	8.4
IP(EA), eV:	-9.92(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxytricyclo[3.3.1.02,7]non-2-ene

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=CC(=C(C(=C2)F)OC(F)F)F)C3=C(C=CC(=C3)C4=CC(=C(C(=C4)S(=O)(=O)C)CO)F)N5C=CC(=N5)C(F)(F)F

DOS

IR

Vibrations