Geometry & MOs

Info

ID:	318005
PubChem CID:	126648306
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	348.064315
ΔH_f, kcal/mol:	-64.39
Dipole, Da:	2.95
IP(EA), eV:	-9.04(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyl-3-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC2CC1C3=C2C(=CC(=C3)CO)O

DOS

IR

Vibrations