Geometry & MOs

Info

ID:	168143
PubChem CID:	74929409
Reduced:	NO2C26H29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	344.152478
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	4.68
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6-methylpyridin-3-yl)oxy-1-phenylethyl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(COC4=CC=CC=C4)N5CC6=CC=CC=C6C5=O

DOS

IR

Vibrations