Geometry & MOs

Info

ID:	29245
PubChem CID:	832542
Reduced:	OSN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	42.0
Dipole, Da:	3.26
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethylanilino)methyl]-5-fluoroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations