Geometry & MOs

Info

ID:	217375
PubChem CID:	85087719
Reduced:	O3C10H11 (2)
Stoich.:	A3B10C11 (2)
Weight, g/mol:	359.153286
ΔH_f, kcal/mol:	-208.32
Dipole, Da:	2.73
IP(EA), eV:	-8.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]-2,10,10-trimethyl-3-oxa-6-azatricyclo[7.1.1.02,7]undec-6-en-4-one

Drug info:

PubChemData

Smile

CC1C(C(C2=CC(=C(C=C12)OC)O)C3=CC(=C(C=C3)O)OC)C(=O)OC

DOS

IR

Vibrations