Geometry & MOs

Info

ID:	56830
PubChem CID:	22394291
Reduced:	NF3O3H10C11 (2)
Stoich.:	AB3C3D10E11 (2)
Weight, g/mol:	343.135049
ΔH_f, kcal/mol:	-520.18
Dipole, Da:	6.29
IP(EA), eV:	-8.79(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5,6-dimethoxy-2-(1-methylpiperidin-2-yl)-3H-inden-1-one;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(CC(N2C(=O)O)C(=O)O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC

DOS

IR

Vibrations