Geometry & MOs

Info

ID:	39285
PubChem CID:	8140056
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-45.39
Dipole, Da:	3.93
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations