Geometry & MOs

Info

ID:	236841
PubChem CID:	92714972
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	-122.76
Dipole, Da:	1.76
IP(EA), eV:	-9.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[(2-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)[C@H]1C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3F

DOS

IR

Vibrations