Geometry & MOs

Info

ID:	318004
PubChem CID:	126648294
Reduced:	SN2F3O5H11C13 (1)
Stoich.:	AB2C3D5E11F13 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	-258.85
Dipole, Da:	3.67
IP(EA), eV:	-9.59(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)tricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations