Geometry & MOs

Info

ID:	351845
PubChem CID:	127282245
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	335.220892
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	3.93
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C(=O)CN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations