Geometry & MOs

Info

ID:	126863
PubChem CID:	50982604
Reduced:	ON4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	61.69
Dipole, Da:	5.16
IP(EA), eV:	-8.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dihydroisoindol-2-yl)-N-(2,4-dimethoxyphenyl)-3-oxopropanamide

Drug info:

PubChemData

Smile

CN1CC(CC1=O)CN2C=NC(=C2C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations