Geometry & MOs

Info

ID:	236842
PubChem CID:	92714973
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-122.8
Dipole, Da:	2.22
IP(EA), eV:	-9.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[(4-ethoxyphenyl)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