Geometry & MOs

Info

ID:	191604
PubChem CID:	78167639
Reduced:	ON2F4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-243.36
Dipole, Da:	5.5
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,9,12-tetramethyl-3-oxatricyclo[6.4.0.02,4]dodecane-9,12-diol

Drug info:

PubChemData

Smile

CC1CN(C2CCCCC2N1)C3=CC(=C(C=C3)OC(F)F)C(F)F

DOS

IR

Vibrations