Geometry & MOs

Info

ID:	387741
PubChem CID:	134986680
Reduced:	F3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-276.05
Dipole, Da:	4.09
IP(EA), eV:	-9.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4-trimethoxy-7-azabicyclo[4.2.0]octa-1,4,6-triene

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C(=C1O)C)O)C(=O)C(F)(F)F

DOS

IR

Vibrations