Geometry & MOs

Info

ID:	195219
PubChem CID:	78656227
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-193.69
Dipole, Da:	4.68
IP(EA), eV:	-9.69(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(propylamino)propan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NCCOC)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations