Geometry & MOs

Info

ID:	238585
PubChem CID:	92741997
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-85.89
Dipole, Da:	3.62
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)NC1=CC(=CC=C1)OC)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations