Geometry & MOs

Info

ID:	39361
PubChem CID:	8140482
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-96.34
Dipole, Da:	2.11
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3CN(C)C

DOS

IR

Vibrations