Geometry & MOs

Info

ID:	322270
PubChem CID:	126669574
Reduced:	OH5C6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	350.079965
ΔH_f, kcal/mol:	-90.52
Dipole, Da:	2.55
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1-hydroxyethyl)-3-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)C3=CC(=CC4=CC=CC=C43)C(=O)C)C

DOS

IR

Vibrations