Geometry & MOs

Info

ID:	407520
PubChem CID:	135080266
Reduced:	FO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-158.9
Dipole, Da:	8.66
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-9-methoxy-4,4-dimethyl-3,5,12-trioxa-1-azatricyclo[6.4.0.02,6]dodec-9-ene

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCCC(C)F

DOS

IR

Vibrations