Geometry & MOs

Info

ID:	399665
PubChem CID:	135041571
Reduced:	F2N3O3C7H11 (1)
Stoich.:	A2B3C3D7E11 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-156.7
Dipole, Da:	2.14
IP(EA), eV:	-10.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethoxy-2H-isoindol-4-one

Drug info:

PubChemData

Smile

COC(C1[C@H]([C@H]([C@H](O1)CO)F)N=[N+]=[N-])F

DOS

IR

Vibrations